Geometry & MOs

Info

ID:	137408
PubChem CID:	52204156
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-76.29
Dipole, Da:	2.21
IP(EA), eV:	-8.15(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[[3-(butanoylamino)phenyl]methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)NC(=O)[C@@H]2CCCN2C(=O)C

DOS

IR

Vibrations