Geometry & MOs

Info

ID:	32220
PubChem CID:	6435964
Reduced:	IN4O4H21C23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	551.04
ΔH_f, kcal/mol:	-22.51
Dipole, Da:	4.01
IP(EA), eV:	-8.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-phenylquinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C(C=C2)I)C(=O)N1N3C(=N/C(=C\C4=CC(=C(C=C4)OC)OC)/C3=O)C

DOS

IR

Vibrations