Geometry & MOs

Info

ID:	18184
PubChem CID:	538793
Reduced:	NO3C4H7 (1)
Stoich.:	AB3C4D7 (1)
Weight, g/mol:	117.042593
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	3.69
IP(EA), eV:	-11.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitrobut-3-en-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations