Geometry & MOs

Info

ID:	89465
PubChem CID:	49961934
Reduced:	ClN3O3H10C16 (1)
Stoich.:	AB3C3D10E16 (1)
Weight, g/mol:	303.11201
ΔH_f, kcal/mol:	52.11
Dipole, Da:	4.63
IP(EA), eV:	-8.93(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C\2C(=C1)C=CC(=O)/C2=N\NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations