Geometry & MOs

Info

ID:	403654
PubChem CID:	135061214
Reduced:	F3C8H9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-336.39
Dipole, Da:	4.26
IP(EA), eV:	-10.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-but-2-ynyl-5-ethylideneoxolan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations