Geometry & MOs

Info

ID:	249490
PubChem CID:	103089939
Reduced:	OSN2C13H24 (1)
Stoich.:	ABC2D13E24 (1)
Weight, g/mol:	238.139137
ΔH_f, kcal/mol:	-48.87
Dipole, Da:	2.61
IP(EA), eV:	-8.59(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-1-(3-propylphenyl)butan-1-ol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CC(CCCSC)O)CC

DOS

IR

Vibrations