Geometry & MOs

Info

ID:	172120
PubChem CID:	75468963
Reduced:	ClON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	303.169057
ΔH_f, kcal/mol:	1.58
Dipole, Da:	2.91
IP(EA), eV:	-9.37(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfinylcyclohexyl)-2-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CN(CCC1NCC2=CN=CC=C2)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations