Geometry & MOs

Info

ID:	89537
PubChem CID:	49962305
Reduced:	NOCl3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	313.10002
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	2.26
IP(EA), eV:	-8.7(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexen-1-yl)-N-[2-(2,4-dichlorophenoxy)ethyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NCCOC2=C(C=C(C=C2)Cl)Cl)Cl

DOS

IR

Vibrations