Geometry & MOs

Info

ID:

83185

PubChem CID:

49857257

Reduced:

NO3C21H36 (2)

Stoich.:

AB3C21D36 (2)

Weight, g/mol:

496.402879

ΔHf, kcal/mol:

-294.51

Dipole, Da:

6.89

IP(EA), eV:

 -8.93(0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(2S,3R)-3-ethenylpiperidin-2-yl]-2-methyl-9-[(2S,3S)-2-[(4R)-2-methyl-3-oxonona-1,8-dien-4-yl]piperidin-3-yl]non-1-en-3-one

Drug info:

PubChemData

Smile

CC(=C)C([C@H](CCCCC[C@H]1CCCN([C@@H]1[C@@H](CCCC=C)C(C(=C)C)O)C(=O)OC(C)(C)C)[C@@H]2[C@H](CCCN2C(=O)OC(C)(C)C)C=C)O

DOS

IR

Vibrations