Geometry & MOs

Info

ID:	4682
PubChem CID:	11864
Reduced:	NO3C4H9 (1)
Stoich.:	AB3C4D9 (1)
Weight, g/mol:	119.058243
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	3.19
IP(EA), eV:	-11.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitrobutan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations