Geometry & MOs

Info

ID:	129188
PubChem CID:	51071892
Reduced:	N4O5C21H22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-83.43
Dipole, Da:	6.65
IP(EA), eV:	-9.8(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations