Geometry & MOs

Info

ID:	4955
PubChem CID:	12333
Reduced:	NO2C5H11 (1)
Stoich.:	AB2C5D11 (1)
Weight, g/mol:	117.078979
ΔH_f, kcal/mol:	-38.92
Dipole, Da:	4.41
IP(EA), eV:	-10.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitropentane

Drug info:

PubChemData

Smile

CCC(CC)[N+](=O)[O-]

DOS

IR

Vibrations