Geometry & MOs

Info

ID:	139345
PubChem CID:	52514054
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-132.33
Dipole, Da:	3.67
IP(EA), eV:	-8.45(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](N1[C@@H]2CCCN(C2)C(=O)C3=CC(=CC=C3)NC(=O)[C@@H]4CCCO4)C

DOS

IR

Vibrations