Geometry & MOs

Info

ID:	216230
PubChem CID:	85085924
Reduced:	O3N4H8C11 (1)
Stoich.:	A3B4C8D11 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-15.26
Dipole, Da:	8.04
IP(EA), eV:	-9.92(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2,3-dimethoxy-6-phenylhexa-1,3-dien-5-yn-1-one

Drug info:

PubChemData

Smile

CN1C2=C(C3=C(C=C2)C(=O)C(C=N3)C(=O)O)N=N1

DOS

IR

Vibrations