Geometry & MOs

Info

ID:	72250
PubChem CID:	48415970
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	404.159689
ΔH_f, kcal/mol:	-42.85
Dipole, Da:	8.03
IP(EA), eV:	-8.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1-(3-nitrophenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations