Geometry & MOs

Info

ID:	412854
PubChem CID:	135085783
Reduced:	F3H4C7 (1)
Stoich.:	A3B4C7 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-74.88
Dipole, Da:	1.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.031461
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-[(1R,6S)-6-methyl-5-oxo-3-bicyclo[4.1.0]heptanyl]but-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C[CH]1)C(=C(F)F)F

DOS

IR

Vibrations