Geometry & MOs

Info

ID:	424144
PubChem CID:	135121482
Reduced:	NH13C20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	281.068808
ΔH_f, kcal/mol:	128.87
Dipole, Da:	1.7
IP(EA), eV:	-8.24(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]chromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)NC4=CC=CC=C43

DOS

IR

Vibrations