Geometry & MOs

Info

ID:	362045
PubChem CID:	127305582
Reduced:	BrON4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	17.12
Dipole, Da:	5.44
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-N-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CN(C1CN2CCC1CC2)C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations