Geometry & MOs

Info

ID:	24691
PubChem CID:	612275
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	6.8
IP(EA), eV:	-9.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-phenylpyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)O

DOS

IR

Vibrations