Geometry & MOs

Info

ID:	6712
PubChem CID:	69659
Reduced:	NO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	145.110279
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	4.53
IP(EA), eV:	-11.04(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitroheptane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations