Geometry & MOs

Info

ID:	89510
PubChem CID:	49962199
Reduced:	BrClNH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	327.11567
ΔH_f, kcal/mol:	32.51
Dipole, Da:	5.94
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations