Geometry & MOs

Info

ID:	407985
PubChem CID:	135080740
Reduced:	FSH3C5 (2)
Stoich.:	ABC3D5 (2)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-24.61
Dipole, Da:	1.28
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-methylphenyl)but-2-en-1-ol

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=C(F)F)C2=CC=CS2

DOS

IR

Vibrations