Geometry & MOs

Info

ID:	89518
PubChem CID:	49962240
Reduced:	ClNOC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	329.014097
ΔH_f, kcal/mol:	-34.72
Dipole, Da:	1.52
IP(EA), eV:	-8.61(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NCCOC2=C(C=C(C=C2)Cl)C)C

DOS

IR

Vibrations