Geometry & MOs

Info

ID:	260728
PubChem CID:	103201930
Reduced:	NO2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	274.050905
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	2.77
IP(EA), eV:	-8.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-4-methoxyphenoxy)-2-chlorobenzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)OC2=C(C=CC=N2)C(=O)OC)N

DOS

IR

Vibrations