Geometry & MOs

Info

ID:	4620
PubChem CID:	11749
Reduced:	NO2C4H9 (1)
Stoich.:	AB2C4D9 (1)
Weight, g/mol:	103.063329
ΔH_f, kcal/mol:	-33.92
Dipole, Da:	4.44
IP(EA), eV:	-10.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitrobutane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations