Geometry & MOs

Info

ID:	279643
PubChem CID:	103844550
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-137.23
Dipole, Da:	3.4
IP(EA), eV:	-8.79(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-hydroxyethyl)phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OCCOC1=CC=C(C=C1)CCO

DOS

IR

Vibrations