Geometry & MOs

Info

ID:	226965
PubChem CID:	87559251
Reduced:	SiC30H40 (1)
Stoich.:	AB30C40 (1)
Weight, g/mol:	519.170087
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	0.87
IP(EA), eV:	-8.24(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-methylphenol;1,8-dimethylfluoren-8-ide;propan-2-ylidenetitanium(1+);dihydrochloride

Drug info:

PubChemData

Smile

CCC1=CC=CC2=C1C(=C(C2)C(C)C)[Si](C)(C)C3=C(CC4=C3C(=CC=C4)CC)C(C)C

DOS

IR

Vibrations