Geometry & MOs

Info

ID:

326064

PubChem CID:

126686306

Reduced:

FO3N4H25C28 (1)

Stoich.:

AB3C4D25E28 (1)

Weight, g/mol:

439.221954

ΔHf, kcal/mol:

-69.93

Dipole, Da:

5.04

IP(EA), eV:

 -9.11(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-N-(1-acetylpiperidin-4-yl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C(=O)N(C2=O)C5CC5(C6=CC=CC=C6)F

DOS

IR

Vibrations