Geometry & MOs

Info

ID:	399036
PubChem CID:	135037181
Reduced:	O3C12H16 (1)
Stoich.:	A3B12C16 (1)
Weight, g/mol:	479.94626
ΔH_f, kcal/mol:	-117.62
Dipole, Da:	1.74
IP(EA), eV:	-9.77(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

gadolinium;nonahydrate

Drug info:

PubChemData

Smile

C[C@@H]1C=CCC([C@@]12CCCC2=O)(C=O)O

DOS

IR

Vibrations