Geometry & MOs

Info

ID:	129178
PubChem CID:	51071869
Reduced:	N4O5C20H26 (1)
Stoich.:	A4B5C20D26 (1)
Weight, g/mol:	421.176834
ΔH_f, kcal/mol:	-137.84
Dipole, Da:	7.4
IP(EA), eV:	-9.76(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidocyclohexyl)-1-[2-(4-chlorophenoxy)acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)[C@@H]2CCCN2C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations