Geometry & MOs

Info

ID:	182355
PubChem CID:	76880022
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	186.019605
ΔH_f, kcal/mol:	-144.78
Dipole, Da:	11.49
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloroprop-2-enyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)C(=O)NC2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations