Geometry & MOs

Info

ID:	50015
PubChem CID:	11538765
Reduced:	ClFON2H22C24 (1)
Stoich.:	ABCD2E22F24 (1)
Weight, g/mol:	408.04734
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	5.35
IP(EA), eV:	-8.25(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-6-(propan-2-ylamino)benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C3=CC(=NC(=C32)OCC4=CC=C(C=C4)F)Cl)C)C

DOS

IR

Vibrations