Geometry & MOs

Info

ID:	216032
PubChem CID:	85085609
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-70.34
Dipole, Da:	4.65
IP(EA), eV:	-9.47(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(1-methyl-1,3-diazinan-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC(=CCC1CC(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations