Geometry & MOs

Info

ID:	287791
PubChem CID:	104294601
Reduced:	NF2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	283.102
ΔH_f, kcal/mol:	-212.86
Dipole, Da:	5.17
IP(EA), eV:	-9.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC1C(=O)O)C(=O)C2=C(C=C(C(=C2)C)F)F

DOS

IR

Vibrations