Geometry & MOs

Info

ID:

327727

PubChem CID:

126690901

Reduced:

O2N3C27H45 (1)

Stoich.:

A2B3C27D45 (1)

Weight, g/mol:

453.335528

ΔHf, kcal/mol:

-112.64

Dipole, Da:

5.56

IP(EA), eV:

 -8.59(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[[[(1S,9R,14R)-4-methoxy-1,10-dimethyl-10-azatetracyclo[7.4.1.02,7.011,13]tetradeca-2(7),3,5-trien-14-yl]-methylamino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CCN(C)[C@@H]1CC2=C(C=C(C=C2)O)C([C@H]1N(C)CC3CCN(CC3)C(=O)C(C)(C)C)(C)C

DOS

IR

Vibrations