Geometry & MOs

Info

ID:	343276
PubChem CID:	127266449
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	449.96181
ΔH_f, kcal/mol:	83.93
Dipole, Da:	3.94
IP(EA), eV:	-8.79(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(2Z)-2-(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1-chloroethylidene]-4-oxo-1H-quinazoline-7-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)/C(=C/NNC(=O)C3=C(N=C4N3C=CC=C4)C)/C=N2

DOS

IR

Vibrations