Geometry & MOs

Info

ID:	48096
PubChem CID:	10537127
Reduced:	OC16H16 (1)
Stoich.:	AB16C16 (1)
Weight, g/mol:	224.123486
ΔH_f, kcal/mol:	-5.81
Dipole, Da:	1.29
IP(EA), eV:	-8.33(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-1-phenylsulfanylpentan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C3CCCC3=C4C(=C)CCC4=C2O1

DOS

IR

Vibrations