Geometry & MOs

Info

ID:	43391
PubChem CID:	10321221
Reduced:	BrN3O4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	364.223631
ΔH_f, kcal/mol:	-191.93
Dipole, Da:	5.87
IP(EA), eV:	-8.54(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 4-[[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-2-yl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=CC=CC=C1CN2CCN(CC2)C(=O)OC(C)(C)C.[Br-]

DOS

IR

Vibrations