Geometry & MOs

Info

ID:	387132
PubChem CID:	134984109
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	402.272987
ΔH_f, kcal/mol:	15.22
Dipole, Da:	4.31
IP(EA), eV:	-8.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyloxyoctyl-[1-acetyloxyoctyl(oxido)amino]-oxoazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(C/C(=C/C(=O)C2=CC=CC=C2)/NC3=CC=CC=C3)C[N+](=O)[O-]

DOS

IR

Vibrations