Geometry & MOs

Info

ID:	39139
PubChem CID:	8139781
Reduced:	ON2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	347.152631
ΔH_f, kcal/mol:	16.34
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.006218
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)NCC1=CC=CC=C1C[NH+](C)C

DOS

IR

Vibrations