Geometry & MOs

Info

ID:	25569
PubChem CID:	626470
Reduced:	ClN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	527.222257
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	4.46
IP(EA), eV:	-8.84(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;4-hydroxy-3,6-dimethyl-1-phenylhept-3-en-2-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations