Geometry & MOs

Info

ID:	202170
PubChem CID:	79637898
Reduced:	OSN2C10H20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	259.1606
ΔH_f, kcal/mol:	-75.57
Dipole, Da:	4.29
IP(EA), eV:	-8.66(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(propan-2-ylamino)-3-propylsulfanylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCSC1CCCC(C1)(C(=O)N)N

DOS

IR

Vibrations