Geometry & MOs

Info

ID:	249496
PubChem CID:	103090014
Reduced:	NOSC13H21 (1)
Stoich.:	ABCD13E21 (1)
Weight, g/mol:	254.134051
ΔH_f, kcal/mol:	-49.27
Dipole, Da:	2.4
IP(EA), eV:	-8.48(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-1-(3-propan-2-yloxyphenyl)butan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations