Geometry & MOs

Info

ID:	89530
PubChem CID:	49962277
Reduced:	BrClNOH13C14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	279.138992
ΔH_f, kcal/mol:	1.06
Dipole, Da:	2.67
IP(EA), eV:	-8.65(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations