Geometry & MOs

Info

ID:

326075

PubChem CID:

126686361

Reduced:

N2O2C12H15 (2)

Stoich.:

A2B2C12D15 (2)

Weight, g/mol:

457.212533

ΔHf, kcal/mol:

-137.59

Dipole, Da:

3.05

IP(EA), eV:

 -9.44(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-N-(1-acetyl-3-fluoropiperidin-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

CC(=O)N1CCC(CC1)(C)C(=O)N2CCN3[C@@H](C2)C(=O)N(C3=O)[C@H]4C[C@@H]4C5=CC=CC=C5

DOS

IR

Vibrations