Geometry & MOs

Info

ID:	72284
PubChem CID:	48416004
Reduced:	ON7C23H25 (1)
Stoich.:	AB7C23D25 (1)
Weight, g/mol:	393.135638
ΔH_f, kcal/mol:	77.58
Dipole, Da:	8.98
IP(EA), eV:	-9.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C(C=NN12)C#N)C)CCC(=O)N(C)CCCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations