Geometry & MOs

Info

ID:	80306
PubChem CID:	49833930
Reduced:	IF2N3O5C30H32 (1)
Stoich.:	AB2C3D5E30F32 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-177.96
Dipole, Da:	31.62
IP(EA), eV:	-8.24(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-4-[(1S)-3-oxocyclopentyl]benzamide

Drug info:

PubChemData

Smile

C[N+]1(CCC(CC1)OC(=O)NC2=C(C=C(C=C2)CCC(=O)NC3=C(C=C(C(=C3)F)C(=O)[O-])F)C4=CC=CC=C4)C.I

DOS

IR

Vibrations