Geometry & MOs

Info

ID:	59967
PubChem CID:	26512274
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	403.223297
ΔH_f, kcal/mol:	-127.47
Dipole, Da:	2.03
IP(EA), eV:	-8.54(0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-[(2,4-dimethoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)OC)OC)CC(=O)NCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations