Geometry & MOs

Info

ID:	176318
PubChem CID:	76033718
Reduced:	BrO8C27H27 (1)
Stoich.:	AB8C27D27 (1)
Weight, g/mol:	481.06774
ΔH_f, kcal/mol:	-270.0
Dipole, Da:	5.55
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-methoxyquinolin-3-yl)-1-naphthalen-1-yl-2-phenylethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1(C(OC2=CC(=CC(=C21)O)OCCCO)C3=C(C=C(C=C3)OCC4=CC=CC=C4)Br)O

DOS

IR

Vibrations