Geometry & MOs

Info

ID:	180932
PubChem CID:	76706321
Reduced:	NO3H9C16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	598.14191
ΔH_f, kcal/mol:	14.65
Dipole, Da:	3.16
IP(EA), eV:	-9.85(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3,5-dimethyl-2-[4-(trifluoromethyl)-2H-naphthalen-2-id-1-yl]pyrazine;iridium;pentane-2,4-diol

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)C1=C3C(=O)C=CC4=NOC=C43

DOS

IR

Vibrations