Geometry & MOs

Info

ID:	205103
PubChem CID:	80056163
Reduced:	SN2O2C12H26 (1)
Stoich.:	AB2C2D12E26 (1)
Weight, g/mol:	260.155849
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	4.11
IP(EA), eV:	-8.69(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopropyl-N'-(3-methylsulfonylcyclohexyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCN(CCN)C1CCCC(C1)S(=O)(=O)C

DOS

IR

Vibrations