Geometry & MOs

Info

ID:	156944
PubChem CID:	56394930
Reduced:	O2N7C22H25 (1)
Stoich.:	A2B7C22D25 (1)
Weight, g/mol:	407.136032
ΔH_f, kcal/mol:	61.15
Dipole, Da:	16.04
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)/C=C(/C#N)\C(=O)NC2=CC(=C(C=C2)OC)N3C(=NN=N3)C)C

DOS

IR

Vibrations