Geometry & MOs

Info

ID:	138263
PubChem CID:	52336431
Reduced:	O2N6C20H33 (1)
Stoich.:	A2B6C20D33 (1)
Weight, g/mol:	362.244367
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	7.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756060
Charge, e:	1

Chem-info

IUPAC name:

(3R)-1-[(2S)-1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-propylpiperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H]1CCC[NH+](C1)[C@@H](C)C(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations