Geometry & MOs

Info

ID:	228509
PubChem CID:	87565053
Reduced:	ClF3O4H18C23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	284.041564
ΔH_f, kcal/mol:	-234.15
Dipole, Da:	2.01
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-4,5,6,6a-tetrahydro-3aH-pentalen-1-one

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=C(C=C2Cl)OC3=CC4=C(C=C3)C=C(C=C4)CC=O)OC(F)(F)F

DOS

IR

Vibrations