Geometry & MOs

Info

ID:	393369
PubChem CID:	135020335
Reduced:	NO7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	309.100108
ΔH_f, kcal/mol:	-190.21
Dipole, Da:	6.41
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-cyano-3-ethoxy-2-phenyl-4H-chromene-3,4-diolate

Drug info:

PubChemData

Smile

CCOC(=O)C1(C2=C(C(=C(C=C2OC1(C#N)C3=CC=CC=C3)OC)OC)OC)O

DOS

IR

Vibrations