Geometry & MOs

Info

ID:	287099
PubChem CID:	104231778
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	-90.33
Dipole, Da:	4.2
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=CC(=C2[C@@H](C)O)OC

DOS

IR

Vibrations