Geometry & MOs

Info

ID:	408110
PubChem CID:	135080866
Reduced:	ClOF3H4C8 (1)
Stoich.:	ABC3D4E8 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-140.01
Dipole, Da:	1.79
IP(EA), eV:	-9.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-(furan-2-yl)-3-methoxycyclohept-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)OC(=C(F)Cl)F

DOS

IR

Vibrations