Geometry & MOs

Info

ID:	227644
PubChem CID:	87562154
Reduced:	NSO4C16H25 (1)
Stoich.:	ABC4D16E25 (1)
Weight, g/mol:	327.150429
ΔH_f, kcal/mol:	-171.96
Dipole, Da:	3.43
IP(EA), eV:	-8.77(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexyl] methanesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN)C2(CCCCC2)OS(=O)(=O)C

DOS

IR

Vibrations