Geometry & MOs

Info

ID:	121374
PubChem CID:	50765551
Reduced:	ON3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	463.237211
ΔH_f, kcal/mol:	-12.34
Dipole, Da:	3.34
IP(EA), eV:	-8.67(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1CCC3=CC=C(C=C3)NC(=O)CC(C)C

DOS

IR

Vibrations