Geometry & MOs

Info

ID:	16090
PubChem CID:	459623
Reduced:	NO4H9C17 (1)
Stoich.:	AB4C9D17 (1)
Weight, g/mol:	291.053158
ΔH_f, kcal/mol:	-81.24
Dipole, Da:	3.74
IP(EA), eV:	-9.48(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-(dihydroxymethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=NC(=O)C3=C(O)O)C=CC=C4C2=O

DOS

IR

Vibrations