Geometry & MOs

Info

ID:	272101
PubChem CID:	103724030
Reduced:	NF2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	317.199094
ΔH_f, kcal/mol:	-229.46
Dipole, Da:	4.22
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1CC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations