Geometry & MOs

Info

ID:	249574
PubChem CID:	103090565
Reduced:	NOSC9H21 (1)
Stoich.:	ABCD9E21 (1)
Weight, g/mol:	205.150036
ΔH_f, kcal/mol:	-79.75
Dipole, Da:	2.49
IP(EA), eV:	-8.4(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-5-methyl-1-methylsulfanylheptan-4-ol

Drug info:

PubChemData

Smile

CC(C)(CN)C(CCCSC)O

DOS

IR

Vibrations