Geometry & MOs

Info

ID:	89527
PubChem CID:	49962263
Reduced:	ClNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	261.092042
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	3.58
IP(EA), eV:	-8.26(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenoxy)ethyl]-4-methylaniline

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations