Geometry & MOs

Info

ID:	207070
PubChem CID:	80342166
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-81.82
Dipole, Da:	3.38
IP(EA), eV:	-8.91(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2-methylsulfanylphenoxy)pyridin-4-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=NC=C1)N(C)CC(=O)NC(C)C)O

DOS

IR

Vibrations