Geometry & MOs

Info

ID:	181882
PubChem CID:	76808964
Reduced:	BO3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	388.016216
ΔH_f, kcal/mol:	-103.97
Dipole, Da:	3.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773519
Charge, e:	-1

Chem-info

IUPAC name:

7-isocyano-10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide;platinum

Drug info:

PubChemData

Smile

[B](O)OC=CC1=CC=C(C=C1)OC

DOS

IR

Vibrations