Geometry & MOs

Info

ID:	200240
PubChem CID:	79369829
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	388.02839
ΔH_f, kcal/mol:	-9.16
Dipole, Da:	0.83
IP(EA), eV:	-8.51(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-iodoanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(CCC2NCC3CCN(C3)C4CC4)C=C1

DOS

IR

Vibrations