Geometry & MOs

Info

ID:

326073

PubChem CID:

126686352

Reduced:

O3N4C25H28 (1)

Stoich.:

A3B4C25D28 (1)

Weight, g/mol:

615.266854

ΔHf, kcal/mol:

-63.92

Dipole, Da:

3.64

IP(EA), eV:

 -9.41(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8aS)-N-(3-benzyl-1-methylpiperidin-1-ium-4-yl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)NC(=O)N2CCN3C(C2)C(=O)N(C3=O)C4CC4C5=CC=CC=C5

DOS

IR

Vibrations