Geometry & MOs

Info

ID:	205228
PubChem CID:	80072466
Reduced:	NSO4C13H27 (1)
Stoich.:	ABC4D13E27 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-201.98
Dipole, Da:	7.64
IP(EA), eV:	-9.51(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(3-methylsulfonylcyclohexyl)but-3-en-1-amine

Drug info:

PubChemData

Smile

CC(CNCCOC)(C1CCCC(C1)S(=O)(=O)C)O

DOS

IR

Vibrations