Geometry & MOs

Info

ID:	138531
PubChem CID:	52380659
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	323.232125
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	7.17
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(3R)-1-(2-amino-2-oxoethyl)-N-[[3-(2-methylpropyl)-1H-imidazol-3-ium-4-yl]methyl]piperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=C(C1=O)OC2=CC=CC=C2)[C@@H](C)CN3C=CC=N3

DOS

IR

Vibrations