Geometry & MOs

Info

ID:	72117
PubChem CID:	48415829
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	407.151288
ΔH_f, kcal/mol:	-74.83
Dipole, Da:	5.79
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-5-chloro-N,3-dimethyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2)OCC

DOS

IR

Vibrations