Geometry & MOs

Info

ID:	266506
PubChem CID:	103567720
Reduced:	IN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	3.21
Dipole, Da:	2.04
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-hydroxypropyl)phenoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=N)N)OCC2=CC=C(C=C2)I

DOS

IR

Vibrations