Geometry & MOs

Info

ID:	305470
PubChem CID:	124955733
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	63.08
Dipole, Da:	4.67
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]pyridin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CN=C1)[C@@H]2CCCN2C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations