Geometry & MOs

Info

ID:	139833
PubChem CID:	52604680
Reduced:	BrFN2O4C19H20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	456.249846
ΔH_f, kcal/mol:	-189.43
Dipole, Da:	4.29
IP(EA), eV:	-8.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=CC(=C2)Br)F)OC

DOS

IR

Vibrations