Geometry & MOs

Info

ID:	297446
PubChem CID:	117617813
Reduced:	O2N3C5H9 (1)
Stoich.:	A2B3C5D9 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	4.2
IP(EA), eV:	-9.96(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-7-methylidene-6-(2-nitrophenyl)cyclodeca-3,5-dien-1-one

Drug info:

PubChemData

Smile

CC(=O)NC(=NC)ON=C

DOS

IR

Vibrations