Geometry & MOs

Info

ID:

83335

PubChem CID:

49857463

Reduced:

NO8C25H31 (1)

Stoich.:

AB8C25D31 (1)

Weight, g/mol:

423.144865

ΔHf, kcal/mol:

-297.95

Dipole, Da:

2.23

IP(EA), eV:

 -8.96(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-[(3aR,6R,7aS)-6-[2-[chloro(methyl)amino]ethyl]-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@H]2C[C@H](C=C([C@H]2O1)C3=CC4=C(C=C3C(=O)OC)OCO4)CCN(C)C(=O)OCC=C)C

DOS

IR

Vibrations