Geometry & MOs

Info

ID:

399963

PubChem CID:

135044234

Reduced:

OTiC14H21 (1)

Stoich.:

ABC14D21 (1)

Weight, g/mol:

220.128342

ΔHf, kcal/mol:

-12.55

Dipole, Da:

6.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.897644

Charge, e:

 0

Chem-info

IUPAC name:

1,1-di(propan-2-yl)-3H-2,1-benzoxasilole

Drug info:

PubChemData

Smile

CC1(C[C@H]2CC/C(=C/C(=C)C[C+]2C1)/O)C.[Ti]

DOS

IR

Vibrations