Geometry & MOs

Info

ID:	180520
PubChem CID:	76647945
Reduced:	NOH19C21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	487.08718
ΔH_f, kcal/mol:	28.63
Dipole, Da:	3.38
IP(EA), eV:	-8.08(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-hydroxypent-3-en-2-one;iridium;1-(2H-naphthalen-2-id-1-yl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CC(=CNC3=CC=CC=C3)C2=O)C

DOS

IR

Vibrations