Geometry & MOs

Info

ID:	138676
PubChem CID:	52406380
Reduced:	FNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	384.192331
ΔH_f, kcal/mol:	-195.55
Dipole, Da:	3.76
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](OC2=CC=CC=C2O1)C(=O)NC3=CC(=C(C=C3)OCCOC)F

DOS

IR

Vibrations