Geometry & MOs

Info

ID:	37555
PubChem CID:	8022194
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	405.05757
ΔH_f, kcal/mol:	-28.52
Dipole, Da:	6.09
IP(EA), eV:	-8.99(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(6-bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42

DOS

IR

Vibrations