Geometry & MOs

Info

ID:	66005
PubChem CID:	46488090
Reduced:	ClO4N5C17H18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	337.073038
ΔH_f, kcal/mol:	-29.6
Dipole, Da:	8.1
IP(EA), eV:	-8.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations