Geometry & MOs

Info

ID:	412081
PubChem CID:	135084947
Reduced:	PdN2O5F6C25H29 (1)
Stoich.:	AB2C5D6E25F29 (1)
Weight, g/mol:	388.287849
ΔH_f, kcal/mol:	-456.37
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777874
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2[CH-]N(C=C2)C3=C(C=C(C=C3C)C)C)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.O.[Pd]

DOS

IR

Vibrations