Geometry & MOs

Info

ID:	375355
PubChem CID:	131500067
Reduced:	ClNO3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	194.069142
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	3.26
IP(EA), eV:	-9.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropanecarbonyl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(C(CO)O)N)Cl)O

DOS

IR

Vibrations