Geometry & MOs

Info

ID:	128923
PubChem CID:	51063680
Reduced:	IN2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	203.993784
ΔH_f, kcal/mol:	30.65
Dipole, Da:	3.14
IP(EA), eV:	-8.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-methylpyrazole-3,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)I)C

DOS

IR

Vibrations