Geometry & MOs

Info

ID:	151482
PubChem CID:	53812503
Reduced:	FO2N7H10C12 (1)
Stoich.:	AB2C7D10E12 (1)
Weight, g/mol:	358.120509
ΔH_f, kcal/mol:	37.79
Dipole, Da:	5.16
IP(EA), eV:	-9.47(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-3-[(4-methoxyphenyl)methylidene]-2-phenylchromen-4-one

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=CN=N3)F)CN=[N+]=[N-]

DOS

IR

Vibrations