Geometry & MOs

Info

ID:	287100
PubChem CID:	104231779
Reduced:	NO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	5.3
IP(EA), eV:	-9.71(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenoxy]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1OC2=CC=CC=C2C#N)OC)O

DOS

IR

Vibrations