Geometry & MOs

Info

ID:	202187
PubChem CID:	79640215
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	-118.93
Dipole, Da:	3.02
IP(EA), eV:	-8.86(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)SCCOC)CO

DOS

IR

Vibrations