Geometry & MOs

Info

ID:

391589

PubChem CID:

135006717

Reduced:

NOC19H22 (2)

Stoich.:

ABC19D22 (2)

Weight, g/mol:

390.222636

ΔHf, kcal/mol:

3.22

Dipole, Da:

2.77

IP(EA), eV:

 -8.68(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aR,8R,8aR)-6-benzyl-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2CC[C@H](C2C3[C@@H](CCN3[C@@H](C)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations