Geometry & MOs

Info

ID:	11564
PubChem CID:	117728
Reduced:	N2O4C30H45 (1)
Stoich.:	A2B4C30D45 (1)
Weight, g/mol:	497.337933
ΔH_f, kcal/mol:	-146.48
Dipole, Da:	5.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752288
Charge, e:	1

Chem-info

IUPAC name:

diethyl-methyl-[2-[4-[(2-nonoxybenzoyl)amino]benzoyl]oxyethyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC

DOS

IR

Vibrations