Geometry & MOs

Info

ID:	246943
PubChem CID:	103065728
Reduced:	ClNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	278.94102
ΔH_f, kcal/mol:	-37.99
Dipole, Da:	4.64
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)C(=O)N2CC(=C)CCl

DOS

IR

Vibrations