Geometry & MOs

Info

ID:	139346
PubChem CID:	52514055
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	5.1
IP(EA), eV:	-9.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CNC(=O)N2CCC[C@@H]2C3=CC=NC=C3

DOS

IR

Vibrations