Geometry & MOs

Info

ID:	49034
PubChem CID:	11528636
Reduced:	SN3O4C6H9 (1)
Stoich.:	AB3C4D6E9 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	3.64
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-nitro-6-phenylhex-5-en-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NO)CCO[N+](=O)[O-]

DOS

IR

Vibrations