Geometry & MOs

Info

ID:

326074

PubChem CID:

126686359

Reduced:

F3N5O5C31H36 (1)

Stoich.:

A3B5C5D31E36 (1)

Weight, g/mol:

438.226705

ΔHf, kcal/mol:

-318.86

Dipole, Da:

13.82

IP(EA), eV:

 -9.19(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-7-(1-acetyl-4-methylpiperidine-4-carbonyl)-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

Drug info:

PubChemData

Smile

C[NH+]1CCC(C(C1)CC2=CC=CC=C2)NC(=O)N3CCN4[C@@H](C3)C(=O)N(C4=O)[C@H]5C[C@@H]5C6=CC=CC=C6.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations