Geometry & MOs

Info

ID:

141690

PubChem CID:

52917485

Reduced:

PtCl2O4F6N10H34C38 (1)

Stoich.:

AB2C4D6E10F34G38 (1)

Weight, g/mol:

369.096808

ΔHf, kcal/mol:

-179.74

Dipole, Da:

6.35

IP(EA), eV:

 -8.96(-2.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-9-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C(N=C(N=C21)Cl)[N-]CC3=CC(=CC=C3)C(F)(F)F.CC(C)N1C=NC2=C(N=C(N=C21)Cl)[N-]CC3=CC(=CC=C3)C(F)(F)F.C1CC(C1)(C(=O)[O-])C(=O)[O-].[Pt+4]

DOS

IR

Vibrations