Geometry & MOs

Info

ID:

238494

PubChem CID:

92741505

Reduced:

N3O3C26H37 (1)

Stoich.:

A3B3C26D37 (1)

Weight, g/mol:

439.283492

ΔHf, kcal/mol:

-122.77

Dipole, Da:

3.2

IP(EA), eV:

 -8.64(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@]2(CN3C(=CC=C3C(=O)N2CCC(C)C)C4=CC=CO4)C

DOS

IR

Vibrations