Geometry & MOs

Info

ID:	249573
PubChem CID:	103090550
Reduced:	NOSC13H27 (1)
Stoich.:	ABCD13E27 (1)
Weight, g/mol:	191.134385
ΔH_f, kcal/mol:	-89.32
Dipole, Da:	2.12
IP(EA), eV:	-8.6(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2,2-dimethyl-6-methylsulfanylhexan-3-ol

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CN)C(CCCSC)O

DOS

IR

Vibrations