Geometry & MOs

Info

ID:	206231
PubChem CID:	80222115
Reduced:	BrClNO2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	284.071641
ΔH_f, kcal/mol:	-44.61
Dipole, Da:	2.22
IP(EA), eV:	-9.0(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-2-quinolin-2-ylethanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)CC(C2=NC=C(C=C2)Cl)O

DOS

IR

Vibrations