Geometry & MOs

Info

ID:	62381
PubChem CID:	26719655
Reduced:	Cl2O3N5H9C15 (1)
Stoich.:	A2B3C5D9E15 (1)
Weight, g/mol:	335.059217
ΔH_f, kcal/mol:	55.02
Dipole, Da:	5.13
IP(EA), eV:	-9.38(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-])N3C=NC=N3

DOS

IR

Vibrations