Geometry & MOs

Info

ID:	246956
PubChem CID:	103065788
Reduced:	ClN3O4C10H12 (1)
Stoich.:	AB3C4D10E12 (1)
Weight, g/mol:	234.991532
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	7.47
IP(EA), eV:	-10.56(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[2-(chloromethyl)prop-2-enyl]-3-nitropyrazole

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)N(C1=O)CC(=C)CCl)[N+](=O)[O-]

DOS

IR

Vibrations