Geometry & MOs

Info

ID:

307898

PubChem CID:

125310664

Reduced:

NO4C15H20 (2)

Stoich.:

AB4C15D20 (2)

Weight, g/mol:

312.248457

ΔHf, kcal/mol:

-359.11

Dipole, Da:

4.79

IP(EA), eV:

 -8.82(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-1-[(1R,3aS,4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]ethanol

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]2[C@H]([C@@H](C(=O)O2)CN3CCN(CC3)C(=O)C4=CC=CC=C4)[C@H]([C@@]5([C@@H]1[C@@H](C[C@@H]5O)OC(=O)C)C)OC(=O)C

DOS

IR

Vibrations