Geometry & MOs

Info

ID:	193493
PubChem CID:	78400167
Reduced:	OI2N3H9C16 (1)
Stoich.:	AB2C3D9E16 (1)
Weight, g/mol:	474.09429
ΔH_f, kcal/mol:	153.48
Dipole, Da:	10.95
IP(EA), eV:	-9.12(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)ethylidene]-3-naphthalen-2-yl-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=C(C=C3C=C(C=C(C3=O)I)I)C#N)N2)C=C1

DOS

IR

Vibrations