Geometry & MOs

Info

ID:	39130
PubChem CID:	8139741
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	335.132644
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	5.96
IP(EA), eV:	-8.44(0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(2-chloro-6-fluorophenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations