Geometry & MOs

Info

ID:

326085

PubChem CID:

126686397

Reduced:

O3N5C24H27 (1)

Stoich.:

A3B5C24D27 (1)

Weight, g/mol:

476.081824

ΔHf, kcal/mol:

-47.36

Dipole, Da:

3.22

IP(EA), eV:

 -8.04(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)N2CCN3C(C2)C(=O)N(C3=O)[C@@H]4C[C@H]4C5=CC=CC=C5

DOS

IR

Vibrations