Geometry & MOs

Info

ID:	400185
PubChem CID:	135046356
Reduced:	ZrC23H42 (1)
Stoich.:	AB23C42 (1)
Weight, g/mol:	1474.328472
ΔH_f, kcal/mol:	174.57
Dipole, Da:	5.32
IP(EA), eV:	-5.54(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC[CH2-].CCCC[C@H]([CH2-])[C@@H]([CH2-])CCCC.C1=C[CH]C=C1.[Zr+3]

DOS

IR

Vibrations