Geometry & MOs

Info

ID:	287090
PubChem CID:	104231769
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	-126.84
Dipole, Da:	7.37
IP(EA), eV:	-9.35(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC=C1OC2=CC=CC=C2C(=O)N)OC)O

DOS

IR

Vibrations