Geometry & MOs

Info

ID:	398211
PubChem CID:	135032320
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	400.142307
ΔH_f, kcal/mol:	32.4
Dipole, Da:	9.03
IP(EA), eV:	-8.11(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(2-aminoanilino)methylidene]-2-[2-(2-hydroxyphenyl)-2-oxoethyl]chromen-4-one

Drug info:

PubChemData

Smile

CN1C=C(/C(=C/2\C=CC=CC2=O)/N1)C3C/C(=C/4\C=CC=CC4=O)/NN3C

DOS

IR

Vibrations