Geometry & MOs

Info

ID:	229492
PubChem CID:	87567841
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	291.11978
ΔH_f, kcal/mol:	-88.57
Dipole, Da:	9.48
IP(EA), eV:	-8.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-di(butan-2-yl)piperidin-1-ium-3-one;bromide

Drug info:

PubChemData

Smile

CCCCCNC1=CC=C(C=C1)C2=CC(=O)C=C(O2)N3CCOCC3

DOS

IR

Vibrations