Geometry & MOs

Info

ID:	216706
PubChem CID:	85086644
Reduced:	O3H18C19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	2.27
IP(EA), eV:	-8.33(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(4-methylphenyl)-2-sulfanylidene-1,3-diazinan-4-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CC=CCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations