Geometry & MOs

Info

ID:	58937
PubChem CID:	24722250
Reduced:	FNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-104.09
Dipole, Da:	5.2
IP(EA), eV:	-10.65(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-[2-(3-nitrophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C1=CC(=C(C=C1)F)C#N

DOS

IR

Vibrations