Geometry & MOs

Info

ID:	133281
PubChem CID:	51503643
Reduced:	NO5C23H30 (1)
Stoich.:	AB5C23D30 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-151.33
Dipole, Da:	2.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753125
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C[NH+]2CCC3(CC2)C[C@@H](C4=C(O3)C=CC(=C4)OC)O)O

DOS

IR

Vibrations