Geometry & MOs

Info

ID:	377256
PubChem CID:	134223301
Reduced:	BrNOH14C24 (1)
Stoich.:	ABCD14E24 (1)
Weight, g/mol:	483.08339
ΔH_f, kcal/mol:	85.13
Dipole, Da:	2.38
IP(EA), eV:	-7.63(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(1-phenylbenzo[de]quinolin-8-yl)phenoxy]butan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC3=CC=CC4=CC5=C(C2=C34)OC6=C5C=CC(=C6)Br

DOS

IR

Vibrations