Geometry & MOs

Info

ID:	39270
PubChem CID:	8140025
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	347.152631
ΔH_f, kcal/mol:	-49.53
Dipole, Da:	4.91
IP(EA), eV:	-8.8(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations