Geometry & MOs

Info

ID:	233671
PubChem CID:	91559173
Reduced:	N2O7H28C32 (1)
Stoich.:	A2B7C28D32 (1)
Weight, g/mol:	566.610072
ΔH_f, kcal/mol:	-137.64
Dipole, Da:	3.49
IP(EA), eV:	-8.39(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(dioctylamino)-[N'-(dioctylamino)carbamimidoyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C2=CN(C3=CC4=C(C=C3C2=O)OCO4)CC(=O)NC5=COC=C(O5)CC6=CC=CCC6

DOS

IR

Vibrations