Geometry & MOs

Info

ID:	192235
PubChem CID:	78248180
Reduced:	ClNO4C28H30 (1)
Stoich.:	ABC4D28E30 (1)
Weight, g/mol:	344.123303
ΔH_f, kcal/mol:	-125.99
Dipole, Da:	1.92
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurine-3,7-diium-7-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1CC2C(CC1Cl)C(=O)C3=C(O2)C(=O)N(C3C4=CC=C(C=C4)C)CCC5=CC=C(C=C5)OC

DOS

IR

Vibrations