Geometry & MOs

Info

ID:	18082
PubChem CID:	537523
Reduced:	ClON3H14C19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	335.08254
ΔH_f, kcal/mol:	68.85
Dipole, Da:	9.61
IP(EA), eV:	-9.65(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-5-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)C)C#N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations