Geometry & MOs

Info

ID:	204819
PubChem CID:	80013255
Reduced:	OSC13H26 (1)
Stoich.:	ABC13D26 (1)
Weight, g/mol:	311.264671
ΔH_f, kcal/mol:	-88.74
Dipole, Da:	2.2
IP(EA), eV:	-8.87(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(dicyclohexylamino)methyl]-3,3-dimethylbutane-1-thiol

Drug info:

PubChemData

Smile

CCCC(COCC1CCCCC1)CS

DOS

IR

Vibrations