Geometry & MOs

Info

ID:	26105
PubChem CID:	638968
Reduced:	SO3C7H10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	114.104465
ΔH_f, kcal/mol:	-95.67
Dipole, Da:	1.78
IP(EA), eV:	-9.07(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4,4-dimethylpent-2-en-1-ol

Drug info:

PubChemData

Smile

COC(=O)C(=O)C1(CC1)SC

DOS

IR

Vibrations