Geometry & MOs

Info

ID:	167198
PubChem CID:	74793219
Reduced:	FN2O6H25C27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	444.17238
ΔH_f, kcal/mol:	-204.09
Dipole, Da:	3.5
IP(EA), eV:	-8.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-chloro-N-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(=O)NCC2=CC(=CC(=C2)NC(=O)C=CC3=CC(=CC=C3)F)C(=O)OC

DOS

IR

Vibrations