Geometry & MOs

Info

ID:	176319
PubChem CID:	76033760
Reduced:	BrNO2H20C28 (1)
Stoich.:	ABC2D20E28 (1)
Weight, g/mol:	523.11469
ΔH_f, kcal/mol:	47.07
Dipole, Da:	4.56
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylpent-4-en-2-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations