Geometry & MOs

Info

ID:	394199
PubChem CID:	135022525
Reduced:	ClO2F3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	320.066029
ΔH_f, kcal/mol:	-184.68
Dipole, Da:	6.63
IP(EA), eV:	-8.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-7-benzylidene-5-(trifluoromethyl)-5H-furo[3,4-f][1,3]benzodioxole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)/C(=C/C3=CC=C(C=C3)Cl)/OC2C(F)(F)F

DOS

IR

Vibrations