Geometry & MOs

Info

ID:	45441
PubChem CID:	10513466
Reduced:	ClN2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	227.069477
ΔH_f, kcal/mol:	-37.37
Dipole, Da:	7.2
IP(EA), eV:	-9.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-1-methyl-5-phenylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=[N+](C=CN2)O)O.[Cl-]

DOS

IR

Vibrations