Geometry & MOs

Info

ID:	37548
PubChem CID:	8022095
Reduced:	BrNO5H16C17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	413.0474
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	1.82
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(5-bromo-2-hydroxybenzoyl)oxyacetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)OC)OC(=O)C2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations