Geometry & MOs

Info

ID:	393192
PubChem CID:	135019686
Reduced:	NO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	335.092436
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	3.96
IP(EA), eV:	-8.38(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-4-[3-(4-methylphenoxy)propoxy]-1-nitrobenzene

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=C2C=CC=C(C2=C(C=C1)OCC=C)OCC3=CC=CC=C3

DOS

IR

Vibrations