Geometry & MOs

Info

ID:	329565
PubChem CID:	126738393
Reduced:	FN3C14H24 (1)
Stoich.:	AB3C14D24 (1)
Weight, g/mol:	340.063504
ΔH_f, kcal/mol:	-32.04
Dipole, Da:	2.4
IP(EA), eV:	-8.63(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(6R)-6-fluoro-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CCC/C=C(/N=C(\C(=C(C)C)N=CCCC)/N)\F

DOS

IR

Vibrations