Geometry & MOs

Info

ID:	39134
PubChem CID:	8139762
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	329.186518
ΔH_f, kcal/mol:	-78.8
Dipole, Da:	4.48
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(2,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC2=NC(=NC(=N2)N)N

DOS

IR

Vibrations