Geometry & MOs

Info

ID:	407802
PubChem CID:	135080557
Reduced:	NC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	241.029929
ΔH_f, kcal/mol:	3.01
Dipole, Da:	1.95
IP(EA), eV:	-9.32(2.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-2-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-2-ium

Drug info:

PubChemData

Smile

CCCCN1C2(N1)C3CC4CC(C3)CC2C4

DOS

IR

Vibrations