Geometry & MOs

Info

ID:	336992
PubChem CID:	127256557
Reduced:	NCl2O5C7H9 (1)
Stoich.:	AB2C5D7E9 (1)
Weight, g/mol:	626.11778
ΔH_f, kcal/mol:	-234.53
Dipole, Da:	3.56
IP(EA), eV:	-11.03(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-1-methylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(4-hydroxy-1-methylpiperidin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone;dibromide

Drug info:

PubChemData

Smile

C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(Cl)Cl

DOS

IR

Vibrations