Geometry & MOs

Info

ID:	305897
PubChem CID:	124973644
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	45.82
Dipole, Da:	4.96
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]pyridin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC=NN12)[C@@H]3CCCCN3C(=O)CC4=CC=CS4

DOS

IR

Vibrations