Geometry & MOs

Info

ID:

326070

PubChem CID:

126686345

Reduced:

ClO3N4C24H25 (1)

Stoich.:

AB3C4D24E25 (1)

Weight, g/mol:

581.188603

ΔHf, kcal/mol:

-73.82

Dipole, Da:

5.09

IP(EA), eV:

 -9.2(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)N2CCN3[C@@H](C2)C(=O)N(C3=O)[C@H]4C[C@@H]4C5=CC=CC=C5)C

DOS

IR

Vibrations