Geometry & MOs

Info

ID:	215969
PubChem CID:	85085520
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	206.076536
ΔH_f, kcal/mol:	-97.05
Dipole, Da:	3.99
IP(EA), eV:	-9.47(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-phenylsulfanylpenta-2,4-dien-1-ol

Drug info:

PubChemData

Smile

C1CCC2(C(C1)C3=C(C2=O)CCCC3)O

DOS

IR

Vibrations