Geometry & MOs

Info

ID:	140811
PubChem CID:	52765471
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	455.28964
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	1.63
IP(EA), eV:	-9.07(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[(2R)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-oxopropan-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)COCC2CC2)N3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations