Geometry & MOs

Info

ID:

376868

PubChem CID:

134222897

Reduced:

NO3C25H31 (1)

Stoich.:

AB3C25D31 (1)

Weight, g/mol:

339.183444

ΔHf, kcal/mol:

-72.47

Dipole, Da:

1.45

IP(EA), eV:

 -8.61(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1S,5R,14R,15S)-14-methoxy-10-methyl-12-oxa-4-azahexacyclo[9.6.1.114,17.01,13.05,17.07,18]nonadeca-7(18),8,10-trien-15-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C2C3=C(C[C@@H]4C56[C@]3(CCN4CC7CC7)C(O2)[C@@](C5)([C@H](C6)C(=O)C)OC)C=C1

DOS

IR

Vibrations