Geometry & MOs

Info

ID:	126682
PubChem CID:	50973091
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	3.16
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(3-acetylphenyl)pyridin-4-yl]pyrrolidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C(=O)N2CCN3CCN(CC3C2)C)COC

DOS

IR

Vibrations