Geometry & MOs

Info

ID:	140957
PubChem CID:	52789681
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	420.04654
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	5.06
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-iodo-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1N(C)CC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations