Geometry & MOs

Info

ID:	52517
PubChem CID:	12015402
Reduced:	FOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	170.076536
ΔH_f, kcal/mol:	-96.26
Dipole, Da:	3.78
IP(EA), eV:	-9.36(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-thiophen-2-ylpentan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C[C@H](C)O)C1=CC=C(C=C1)F

DOS

IR

Vibrations