Geometry & MOs

Info

ID:	287943
PubChem CID:	104301476
Reduced:	ClON2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	283.087625
ΔH_f, kcal/mol:	42.82
Dipole, Da:	5.04
IP(EA), eV:	-10.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-3-methylphenyl)-4-phenyl-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C(C#N)C#N)Cl

DOS

IR

Vibrations