Geometry & MOs

Info

ID:	73052
PubChem CID:	48416884
Reduced:	ON2H4C5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	46.26
Dipole, Da:	8.02
IP(EA), eV:	-9.27(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NO1)COC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations