Geometry & MOs

Info

ID:	61957
PubChem CID:	26716308
Reduced:	ClN2O4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	410.14431
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	1.56
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-bromo-N-[3-[(2-methyl-2-piperidin-1-ium-1-ylpropyl)amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations