Geometry & MOs

Info

ID:

326071

PubChem CID:

126686346

Reduced:

F3N5O5H26C29 (1)

Stoich.:

A3B5C5D26E29 (1)

Weight, g/mol:

456.190989

ΔHf, kcal/mol:

-189.65

Dipole, Da:

11.11

IP(EA), eV:

 -8.57(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2[C@@H](CN1C(=O)NC3=C(C=[NH+]C=C3)C4=CC=CC=C4)C(=O)N(C2=O)[C@H]5C[C@@H]5C6=CC=CC=C6.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations