Geometry & MOs

Info

ID:

326069

PubChem CID:

126686342

Reduced:

ClO3N4C23H23 (1)

Stoich.:

AB3C4D23E23 (1)

Weight, g/mol:

452.161518

ΔHf, kcal/mol:

-62.89

Dipole, Da:

2.52

IP(EA), eV:

 -9.46(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)N2CCN3C(C2)C(=O)N(C3=O)[C@@H]4C[C@H]4C5=CC=CC=C5

DOS

IR

Vibrations