Geometry & MOs

Info

ID:	287790
PubChem CID:	104294559
Reduced:	NF2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	283.102
ΔH_f, kcal/mol:	-225.29
Dipole, Da:	5.72
IP(EA), eV:	-9.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluoro-5-methylbenzoyl)-4-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)N(CCC(=O)O)C(C)C

DOS

IR

Vibrations