Geometry & MOs

Info

ID:	156858
PubChem CID:	56394754
Reduced:	BrClN2O4C18H22 (1)
Stoich.:	ABC2D4E18F22 (1)
Weight, g/mol:	490.11033
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	2.61
IP(EA), eV:	-9.39(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]-methylamino]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)CN(C)C(=O)C2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations