Geometry & MOs

Info

ID:	343249
PubChem CID:	127266422
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	3.07
IP(EA), eV:	-8.29(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(1-methylpyrazol-4-yl)benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)NC=C2CNC(=O)C=C

DOS

IR

Vibrations