Geometry & MOs

Info

ID:	163171
PubChem CID:	57651320
Reduced:	N3O3F4H15C21 (1)
Stoich.:	A3B3C4D15E21 (1)
Weight, g/mol:	407.09735
ΔH_f, kcal/mol:	-247.15
Dipole, Da:	5.07
IP(EA), eV:	-9.95(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;iridium(3+);4-(3-methyl-2H-imidazol-2-id-1-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(NC(=O)N1C2=CC(=CC(=C2)C(F)(F)F)F)C3=CC=C(C=C3)C#N)C(=O)OC

DOS

IR

Vibrations