Geometry & MOs

Info

ID:	150568
PubChem CID:	53790261
Reduced:	F2N2O6C39H44 (1)
Stoich.:	A2B2C6D39E44 (1)
Weight, g/mol:	674.316743
ΔH_f, kcal/mol:	-290.56
Dipole, Da:	2.82
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-[2-[2-(4,4-diphenylpiperidin-1-yl)ethoxy]ethyl] 3-O-ethyl 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C1[C@H](C(=C(N=C1C)C)C(=O)OCCOCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5OC(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC(=O)C1[C@H](C(=C(N=C1C)C)C(=O)OCCOCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5OC(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):