Geometry & MOs

Info

ID:	140653
PubChem CID:	52737578
Reduced:	O2N5C23H35 (1)
Stoich.:	A2B5C23D35 (1)
Weight, g/mol:	414.2869
ΔH_f, kcal/mol:	-89.95
Dipole, Da:	2.87
IP(EA), eV:	-8.45(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-(carbamoylamino)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-methylpropyl]-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(C)(C)CNC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)N)C

DOS

IR

Vibrations