Geometry & MOs

Info

ID:	377535
PubChem CID:	134223593
Reduced:	SC15H16 (2)
Stoich.:	AB15C16 (2)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	142.41
Dipole, Da:	1.22
IP(EA), eV:	-8.26(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,6E)-3-methyl-5,6-bis(prop-2-enylidene)pyridin-2-one

Drug info:

PubChemData

Smile

C/C/1=C/CC2=C(CC(=C(S2)/C=C(\CC=C)/C=C\CC3=CCC=CC=C3)C=C)SC(=C)/C=C1

DOS

IR

Vibrations