Geometry & MOs

Info

ID:	139471
PubChem CID:	52538127
Reduced:	BrON2C20H30 (1)
Stoich.:	ABC2D20E30 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	1.11
Dipole, Da:	22.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.830162
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-(methylamino)-3-oxopropyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](C[NH+](C1)C[C@@H](C)NC(=O)C2(CC2)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations