Geometry & MOs

Info

ID:	6646
PubChem CID:	69367
Reduced:	NO2C4H9 (1)
Stoich.:	AB2C4D9 (1)
Weight, g/mol:	103.063329
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	4.46
IP(EA), eV:	-11.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-nitropropane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations