Geometry & MOs

Info

ID:	13488
PubChem CID:	237401
Reduced:	BrNOCl2H12C17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	394.94793
ΔH_f, kcal/mol:	9.16
Dipole, Da:	4.31
IP(EA), eV:	-9.3(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[2-(3,4-dichlorophenyl)quinolin-4-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C(CBr)O

DOS

IR

Vibrations