Geometry & MOs

Info

ID:	425694
PubChem CID:	135127413
Reduced:	INOC7H8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-1.11
Dipole, Da:	2.81
IP(EA), eV:	-8.36(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E,6E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-6-ethylidene-4-hydroxy-5-prop-2-enylidenecyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1O)I

DOS

IR

Vibrations