Geometry & MOs

Info

ID:	198504
PubChem CID:	79110767
Reduced:	ClFSN2O2C13H18 (1)
Stoich.:	ABCD2E2F13G18 (1)
Weight, g/mol:	274.240899
ΔH_f, kcal/mol:	-122.1
Dipole, Da:	5.07
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(4-ethylphenyl)ethyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CNC1CCC(CC1)NS(=O)(=O)C2=C(C(=CC=C2)Cl)F

DOS

IR

Vibrations