Geometry & MOs

Info

ID:	396634
PubChem CID:	135028964
Reduced:	FSN2O2H23C27 (1)
Stoich.:	ABC2D2E23F27 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	2.85
Dipole, Da:	3.29
IP(EA), eV:	-8.23(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-3-hydroxy-1-phenylprop-1-enyl]-4-methylphenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=N\NC2=CC=CC=C2)/C[C@H](C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations