Geometry & MOs

Info

ID:	377254
PubChem CID:	134223299
Reduced:	BrNH18C25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	455.08848
ΔH_f, kcal/mol:	94.38
Dipole, Da:	4.05
IP(EA), eV:	-7.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-(1-phenylbenzo[de]quinolin-8-yl)phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=CC3=C4C(=CC=CC4=C2)C=CN3C5=CC=CC=C5

DOS

IR

Vibrations