Geometry & MOs

Info

ID:	141329
PubChem CID:	52861600
Reduced:	N4O4C23H30 (1)
Stoich.:	A4B4C23D30 (1)
Weight, g/mol:	424.29238
ΔH_f, kcal/mol:	-134.04
Dipole, Da:	2.89
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl N-[2-[5-[[(3R)-3-[(2-methylpropanoylamino)methyl]piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)NC(=O)C3=CC=CC=C3COC

DOS

IR

Vibrations