Geometry & MOs

Info

ID:	409948
PubChem CID:	135082735
Reduced:	OC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	338.014441
ΔH_f, kcal/mol:	25.55
Dipole, Da:	2.78
IP(EA), eV:	-9.18(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-6-chloro-4,4,5,5,6,6-hexafluoro-3-prop-2-ynoxyhex-2-enoate

Drug info:

PubChemData

Smile

CC1CC1C#CCOC=C

DOS

IR

Vibrations