Geometry & MOs

Info

ID:	180784
PubChem CID:	76685168
Reduced:	PtN2O5C16H28 (1)
Stoich.:	AB2C5D16E28 (1)
Weight, g/mol:	352.297745
ΔH_f, kcal/mol:	-135.5
Dipole, Da:	3.69
IP(EA), eV:	-8.87(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-heptyl-2-hydroxy-2-(2-methylhexan-2-yl)-3,4,4a,5,7,7a-hexahydrocyclopenta[b]pyran-6-one

Drug info:

PubChemData

Smile

CCC(C)N[C@@H]1CCCC[C@H]1N.C1C(CC1(C(=O)[O-])C(=O)[O-])O.[Pt+2]

DOS

IR

Vibrations