Geometry & MOs

Info

ID:	181974
PubChem CID:	76822105
Reduced:	FNO4C28H38 (1)
Stoich.:	ABC4D28E38 (1)
Weight, g/mol:	311.169685
ΔH_f, kcal/mol:	-224.47
Dipole, Da:	4.55
IP(EA), eV:	-8.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-fluoro-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2CCCN2CC(COC(C)C3=CC=CC=C3CC(C)(C)C(=O)O)O)F

DOS

IR

Vibrations