Geometry & MOs

Info

ID:	32224
PubChem CID:	6435983
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	517.07897
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	3.46
IP(EA), eV:	-8.37(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1N3C(=N/C(=C\C4=CC(=C(C=C4)OC)OC)/C3=O)C

DOS

IR

Vibrations