Geometry & MOs

Info

ID:	249507
PubChem CID:	103090087
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	256.113316
ΔH_f, kcal/mol:	-38.52
Dipole, Da:	2.55
IP(EA), eV:	-8.56(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxyphenyl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations