Geometry & MOs

Info

ID:	178417
PubChem CID:	76325752
Reduced:	ON5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	668.03814
ΔH_f, kcal/mol:	83.72
Dipole, Da:	2.4
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[[2-(2,6-dichloroanilino)phenyl]methyl]-3-[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]phenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2C=C(C3=CC=CC=C32)C4=NC(=NC=C4)N

DOS

IR

Vibrations