Geometry & MOs

Info

ID:	59674
PubChem CID:	24893040
Reduced:	N2O7C20H30 (1)
Stoich.:	A2B7C20D30 (1)
Weight, g/mol:	236.138559
ΔH_f, kcal/mol:	-276.09
Dipole, Da:	12.39
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(E)-(4-acetamidophenyl)-[amino(diaminomethylideneazaniumyl)methylidene]azanium

Drug info:

PubChemData

Smile

CCCC/C=[NH+]/CCNC(=O)C1=C(C(=CC=C1)OC)OCCC.C(=O)(C(=O)[O-])O

DOS

IR

Vibrations