Geometry & MOs

Info

ID:

398188

PubChem CID:

135032226

Reduced:

N3O8C23H35 (1)

Stoich.:

A3B8C23D35 (1)

Weight, g/mol:

433.170115

ΔHf, kcal/mol:

-360.55

Dipole, Da:

5.79

IP(EA), eV:

 -9.49(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)-1-[(2S)-2,3,3,3-tetrafluoropropyl]piperidin-3-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H](C)C(=O)N1CCC[C@H]1[C@H]2C(=C)OC(=O)[C@@H](O2)C(C)C)NC(=O)CCC(=O)OC

DOS

IR

Vibrations