Geometry & MOs

Info

ID:	268841
PubChem CID:	103601192
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	270.064057
ΔH_f, kcal/mol:	-68.12
Dipole, Da:	5.14
IP(EA), eV:	-8.48(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-2-nitrophenoxy)benzonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1OCCSC

DOS

IR

Vibrations