Geometry & MOs

Info

ID:	39242
PubChem CID:	8139968
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	333.136981
ΔH_f, kcal/mol:	30.49
Dipole, Da:	7.79
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCSC2=NN=NN2C3=C(C=CC(=C3)C)OC

DOS

IR

Vibrations