Geometry & MOs

Info

ID:	387138
PubChem CID:	134984139
Reduced:	NO3C5H5F6 (1)
Stoich.:	AB3C5D5E6 (1)
Weight, g/mol:	170.985384
ΔH_f, kcal/mol:	-358.46
Dipole, Da:	3.52
IP(EA), eV:	-11.92(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-3-nitrobutane

Drug info:

PubChemData

Smile

CCOC(C(C(F)(F)F)([N+](=O)[O-])F)(F)F

DOS

IR

Vibrations