Geometry & MOs

Info

ID:	28158
PubChem CID:	825920
Reduced:	NSO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	229.073893
ΔH_f, kcal/mol:	-120.84
Dipole, Da:	7.82
IP(EA), eV:	-9.67(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitro-2-(phenoxymethyl)benzene

Drug info:

PubChemData

Smile

CC(=O)ONC1=CC2=C(C=C1)S(=O)(=O)CC2

DOS

IR

Vibrations