Geometry & MOs

Info

ID:	207071
PubChem CID:	80342227
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	3.05
IP(EA), eV:	-8.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-hydroxyethyl]pyridin-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=NC=C1)OC2=CC=CC=C2SC)O

DOS

IR

Vibrations