Geometry & MOs

Info

ID:	7304
PubChem CID:	72092
Reduced:	BrN2O4C29H43 (1)
Stoich.:	AB2C4D29E43 (1)
Weight, g/mol:	562.24062
ΔH_f, kcal/mol:	-179.68
Dipole, Da:	15.32
IP(EA), eV:	-7.9(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl-methyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium;bromide

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[N+](C)(CC)CC.[Br-]

DOS

IR

Vibrations