Geometry & MOs

Info

ID:

326066

PubChem CID:

126686331

Reduced:

ClN4O5H23C24 (1)

Stoich.:

AB4C5D23E24 (1)

Weight, g/mol:

450.263091

ΔHf, kcal/mol:

-134.52

Dipole, Da:

5.09

IP(EA), eV:

 -9.41(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-[(1R,2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations