Geometry & MOs

Info

ID:	283644
PubChem CID:	103995312
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	257.12766
ΔH_f, kcal/mol:	-5.4
Dipole, Da:	2.7
IP(EA), eV:	-8.48(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(1H-benzimidazol-2-yl)-5-propan-2-yl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=O)N(N1)CC2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations