Geometry & MOs

Info

ID:	313537
PubChem CID:	126615624
Reduced:	FN2O4C35H43 (1)
Stoich.:	AB2C4D35E43 (1)
Weight, g/mol:	608.341421
ΔH_f, kcal/mol:	-213.6
Dipole, Da:	6.18
IP(EA), eV:	-8.84(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3,4-dihydro-2H-chromen-6-yl)-5-ethyl-3-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-methylpyridin-2-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine

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

CC1=C2CCCOC2=C(C=C1C3=C(C(=NC(=C3C4=CC5=C(CNCC5)C=C4)C)C)[C@@H](C(=O)OC(C)C)OC(C)(C)C)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

CC1=C2CCCOC2=C(C=C1C3=C(C(=NC(=C3C4=CC5=C(CNCC5)C=C4)C)C)[C@@H](C(=O)OC(C)C)OC(C)(C)C)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):