Geometry & MOs

Info

ID:	39208
PubChem CID:	8139918
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	327.207253
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	5.39
IP(EA), eV:	-8.93(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations