Geometry & MOs

Info

ID:	203591
PubChem CID:	79850084
Reduced:	O2S2N3C11H15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	262.171499
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	6.03
IP(EA), eV:	-8.2(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C1=NC2=C(S1)C=C(C=C2)N

DOS

IR

Vibrations