Geometry & MOs

Info

ID:	166610
PubChem CID:	74716829
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	403.119501
ΔH_f, kcal/mol:	-150.3
Dipole, Da:	9.97
IP(EA), eV:	-8.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(anthracen-9-ylmethylideneamino)-2-oxo-5H-pyrimido[5,4-b]indol-4-olate

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=CC(=C1)OC)C2C(=C(OC3=C2C(=O)C4CCCCC4O3)N)C#N

DOS

IR

Vibrations