Geometry & MOs

Info

ID:	229447
PubChem CID:	87567682
Reduced:	SN5O5H21C22 (1)
Stoich.:	AB5C5D21E22 (1)
Weight, g/mol:	235.05718
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	6.52
IP(EA), eV:	-9.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethylpiperidin-1-ium-4-one;bromide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)COC=O)CC2=CC3=C(O2)C=C(C=N3)OC4=NC5=C(S4)C=CC=N5

DOS

IR

Vibrations