Geometry & MOs

Info

ID:	139125
PubChem CID:	52477284
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	347.293663
ΔH_f, kcal/mol:	-109.63
Dipole, Da:	3.65
IP(EA), eV:	-8.48(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

benzyl-[[1-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]piperidin-1-ium-4-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)OCCNC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations