Geometry & MOs

Info

ID:	32217
PubChem CID:	6435953
Reduced:	O3N4H14C21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	487.14514
ΔH_f, kcal/mol:	77.69
Dipole, Da:	5.2
IP(EA), eV:	-9.36(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations