Geometry & MOs

Info

ID:	15759
PubChem CID:	449650
Reduced:	IN2O3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	417.08677
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	5.3
IP(EA), eV:	-8.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-iodo-3-methoxy-2-(111C)methoxybenzamide

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2)I)OC)O[11CH3]

DOS

IR

Vibrations