Geometry & MOs

Info

ID:	9119
PubChem CID:	86255
Reduced:	NC4O4H9 (1)
Stoich.:	AB4C4D9 (1)
Weight, g/mol:	135.053158
ΔH_f, kcal/mol:	-99.77
Dipole, Da:	3.13
IP(EA), eV:	-10.91(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutan-2-yl nitrate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations