Geometry & MOs

Info

ID:	281899
PubChem CID:	103914514
Reduced:	NSO2C13H25 (1)
Stoich.:	ABC2D13E25 (1)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	-127.86
Dipole, Da:	4.69
IP(EA), eV:	-9.09(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylcyclohexyl)methyl]-1-methylsulfonylpropan-2-amine

Drug info:

PubChemData

Smile

CC1(CCCCC1)CNC2CCCS(=O)(=O)C2

DOS

IR

Vibrations