Geometry & MOs

Info

ID:	197170
PubChem CID:	78931841
Reduced:	OSN3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	321.03644
ΔH_f, kcal/mol:	50.36
Dipole, Da:	7.55
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-bromo-2-(2-pyridin-3-ylethoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

C1C(SC2=CC=CC=C21)C(=O)NC3=NC=C(C=C3)C#N

DOS

IR

Vibrations