Geometry & MOs

Info

ID:	413890
PubChem CID:	135086841
Reduced:	ON2C14H14 (1)
Stoich.:	AB2C14D14 (1)
Weight, g/mol:	280.086622
ΔH_f, kcal/mol:	27.0
Dipole, Da:	3.03
IP(EA), eV:	-9.56(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-7-(4-chlorophenyl)-7-oxohept-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C(=C/C(=O)N2C=CC=N2)/C

DOS

IR

Vibrations