Geometry & MOs

Info

ID:	2552
PubChem CID:	7903
Reduced:	NO2C3H7 (1)
Stoich.:	AB2C3D7 (1)
Weight, g/mol:	89.047678
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	4.41
IP(EA), eV:	-11.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitropropane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations