Geometry & MOs

Info

ID:	55667
PubChem CID:	17395767
Reduced:	ClN2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	-52.56
Dipole, Da:	4.75
IP(EA), eV:	-8.64(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[1-chloro-2-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6,7-dimethoxy-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=C(C=C4)Cl)O

DOS

IR

Vibrations