Geometry & MOs

Info

ID:	436628
PubChem CID:	135206318
Reduced:	N3O3C32H49 (1)
Stoich.:	A3B3C32D49 (1)
Weight, g/mol:	543.347235
ΔH_f, kcal/mol:	-156.18
Dipole, Da:	3.15
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-fluoro-6-(2-methylpropoxy)pyridin-3-yl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

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=NC=C(C(=C1[C@@H](C(=O)OC(C)C)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CN=CC(=C3)CCC(C)C

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=NC=C(C(=C1[C@@H](C(=O)OC(C)C)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CN=CC(=C3)CCC(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):