Geometry & MOs

Info

ID:

83674

PubChem CID:

49859977

Reduced:

N3O5F6C21H33 (1)

Stoich.:

A3B5C6D21E33 (1)

Weight, g/mol:

595.277025

ΔHf, kcal/mol:

-507.54

Dipole, Da:

9.28

IP(EA), eV:

 -8.93(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(1-benzyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CN(CC#CCN1CCCC1)C(=O)CCCCCCCN.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations