Geometry & MOs

Info

ID:	408103
PubChem CID:	135080859
Reduced:	N2O3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	3.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771571
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-ethoxy-4-ethylidenecyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCO/C(=C(/CC(=O)C)\[N+]#N)/O

DOS

IR

Vibrations