Geometry & MOs

Info

ID:

394677

PubChem CID:

135023491

Reduced:

NSiO8C39H61 (1)

Stoich.:

ABC8D39E61 (1)

Weight, g/mol:

206.167065

ΔHf, kcal/mol:

-449.35

Dipole, Da:

4.16

IP(EA), eV:

 -9.09(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7a-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-inden-3a-yl)methanol

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H](C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)N3[C@H](COC3=O)C4=CC=CC=C4)[C@@H](C)[C@@H]5CC[C@H](O5)C

DOS

IR

Vibrations