Geometry & MOs

Info

ID:	387293
PubChem CID:	134984786
Reduced:	SN2O5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	164.043321
ΔH_f, kcal/mol:	-98.36
Dipole, Da:	6.23
IP(EA), eV:	-9.09(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitrobutan-2-yl nitrate

Drug info:

PubChemData

Smile

CCC(C(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations