Geometry & MOs

Info

ID:	288867
PubChem CID:	104327375
Reduced:	FNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	7.63
IP(EA), eV:	-9.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=C(C=C2)F)C

DOS

IR

Vibrations