Geometry & MOs

Info

ID:	441369
PubChem CID:	135234357
Reduced:	NC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	370.0772
ΔH_f, kcal/mol:	45.78
Dipole, Da:	4.26
IP(EA), eV:	-8.26(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-[4-(4-chlorophenyl)-2-fluoro-6-methoxyphenyl]-4-prop-2-ynylcyclopentane-1,3-dione

Drug info:

PubChemData

Smile

C=C1CC=C(CN1)C=C2C=CCCN2

DOS

IR

Vibrations