Geometry & MOs

Info

ID:	39345
PubChem CID:	8140385
Reduced:	ClN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	327.207253
ΔH_f, kcal/mol:	-61.33
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.063438
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations