Geometry & MOs

Info

ID:	180817
PubChem CID:	76690436
Reduced:	SN5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	800.23486
ΔH_f, kcal/mol:	71.74
Dipole, Da:	6.18
IP(EA), eV:	-8.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

carbanide;3-(2,6-dimethylphenyl)-6,7-bis(2-ethylbutyl)-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(S1)NC3N2C4=NC=CN4C5C3CCCC5

DOS

IR

Vibrations