Geometry & MOs

Info

ID:

219473

PubChem CID:

85148727

Reduced:

FN5O10C20H26 (1)

Stoich.:

AB5C10D20E26 (1)

Weight, g/mol:

513.159944

ΔHf, kcal/mol:

-464.73

Dipole, Da:

4.49

IP(EA), eV:

 -9.93(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-1-[8-(phenoxymethyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1COC(=O)CCCCC(=O)NC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)O)F

DOS

IR

Vibrations