Geometry & MOs

Info

ID:	85664
PubChem CID:	49877905
Reduced:	BrN3O4H24C29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	489.03381
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	5.05
IP(EA), eV:	-8.8(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(2E)-2-indol-3-ylideneethylidene]-6-iodo-3-phenyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=C(C=C5)Br)/O

DOS

IR

Vibrations