Geometry & MOs

Info

ID:	32218
PubChem CID:	6435956
Reduced:	ClON3H22C31 (1)
Stoich.:	ABC3D22E31 (1)
Weight, g/mol:	585.00103
ΔH_f, kcal/mol:	86.61
Dipole, Da:	5.24
IP(EA), eV:	-8.58(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)/C=C/C4=C(NC5=CC=CC=C54)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations