Geometry & MOs

Info

ID:	2252
PubChem CID:	6442
Reduced:	NO3C4H9 (1)
Stoich.:	AB3C4D9 (1)
Weight, g/mol:	119.058243
ΔH_f, kcal/mol:	-75.03
Dipole, Da:	3.87
IP(EA), eV:	-10.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-nitropropan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations