Geometry & MOs

Info

ID:

326076

PubChem CID:

126686363

Reduced:

FO4N5C23H28 (1)

Stoich.:

AB4C5D23E28 (1)

Weight, g/mol:

483.086495

ΔHf, kcal/mol:

-177.83

Dipole, Da:

5.48

IP(EA), eV:

 -9.43(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C(C1)F)NC(=O)N2CCN3[C@@H](C2)C(=O)N(C3=O)[C@H]4C[C@@H]4C5=CC=CC=C5

DOS

IR

Vibrations