Geometry & MOs

Info

ID:

326080

PubChem CID:

126686378

Reduced:

N4O5H22C23 (1)

Stoich.:

A4B5C22D23 (1)

Weight, g/mol:

529.268905

ΔHf, kcal/mol:

-111.11

Dipole, Da:

3.97

IP(EA), eV:

 -8.7(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-N-(1-acetyl-3-phenylpiperidin-4-yl)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)N(C2=O)[C@@H]5C[C@H]5C6=CC=CC=C6

DOS

IR

Vibrations