Geometry & MOs

Info

ID:	324175
PubChem CID:	126677069
Reduced:	ClO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	249.055656
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	3.73
IP(EA), eV:	-8.93(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-4-chloro-6-(6-methoxy-1H-pyridin-2-ylidene)-3-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2CCOCC2)O

DOS

IR

Vibrations