Geometry & MOs

Info

ID:	89706
PubChem CID:	49963928
Reduced:	FNOSH16C20 (1)
Stoich.:	ABCDE16F20 (1)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	1.37
IP(EA), eV:	-8.28(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-(2-methoxy-5-methylphenyl)methanol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC3=CC=CC(=C31)C(C4=CC=C(C=C4)F)O

DOS

IR

Vibrations