Geometry & MOs

Info

ID:	180786
PubChem CID:	76685631
Reduced:	NO7C33H35 (1)
Stoich.:	AB7C33D35 (1)
Weight, g/mol:	490.17085
ΔH_f, kcal/mol:	-143.34
Dipole, Da:	3.09
IP(EA), eV:	-8.56(0.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(4-cyclohexyl-5-propan-2-yl-1,2,4-triazol-3-yl)-2,6-dimethyl-4H-pyridin-4-ide;iridium

Drug info:

PubChemData

Smile

COOC1CN2CCCC23CC(C3C4=CC5=C(C=C14)OCO5)OC(=O)C(CC6=CC=CC=C6)(CC7=CC=CC=C7)O

DOS

IR

Vibrations