Geometry & MOs

Info

ID:	260717
PubChem CID:	103201243
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	1.01
IP(EA), eV:	-8.29(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-amino-4-methoxyphenoxy)methyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCC(C)OC1=CC(=C(C=C1)OC)N

DOS

IR

Vibrations