Geometry & MOs

Info

ID:	249572
PubChem CID:	103090548
Reduced:	NOSC15H31 (1)
Stoich.:	ABCD15E31 (1)
Weight, g/mol:	245.181336
ΔH_f, kcal/mol:	-96.09
Dipole, Da:	1.54
IP(EA), eV:	-8.49(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(aminomethyl)-3-methylcyclohexyl]-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)(CN)C(CCCSC)O

DOS

IR

Vibrations