Geometry & MOs

Info

ID:	386170
PubChem CID:	134980969
Reduced:	ZrC8H14 (1)
Stoich.:	AB8C14 (1)
Weight, g/mol:	196.122104
ΔH_f, kcal/mol:	21.63
Dipole, Da:	0.6
IP(EA), eV:	-6.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-1,2-dideuterio-2-phenylethenyl]-4-methylbenzene

Drug info:

PubChemData

Smile

[CH3-].[CH3-].[CH3-].C1=C[CH]C=C1.[Zr+3]

DOS

IR

Vibrations