Geometry & MOs

Info

ID:	327452
PubChem CID:	126689944
Reduced:	IN2H5C6 (1)
Stoich.:	AB2C5D6 (1)
Weight, g/mol:	308.122401
ΔH_f, kcal/mol:	117.08
Dipole, Da:	2.36
IP(EA), eV:	-9.2(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,6aS)-4-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

CC1=NC=C=NC=C1I

DOS

IR

Vibrations