Geometry & MOs

Info

ID:

83546

PubChem CID:

49857756

Reduced:

O7N9C35H41 (1)

Stoich.:

A7B9C35D41 (1)

Weight, g/mol:

374.256943

ΔHf, kcal/mol:

-208.76

Dipole, Da:

6.54

IP(EA), eV:

 -8.52(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C(=NN5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations