Geometry & MOs

Info

ID:	192900
PubChem CID:	78323298
Reduced:	PtN3O4C21H33 (1)
Stoich.:	AB3C4D21E33 (1)
Weight, g/mol:	420.169859
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	8.94
IP(EA), eV:	-8.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)N)N.C1CCN(C1)CCCC(C2C=CC=C2)(C(=O)[O-])C(=O)[O-].[Pt+2]

DOS

IR

Vibrations