Geometry & MOs

Info

ID:

238490

PubChem CID:

92741491

Reduced:

O3N4C26H30 (1)

Stoich.:

A3B4C26D30 (1)

Weight, g/mol:

460.247441

ΔHf, kcal/mol:

-58.25

Dipole, Da:

4.45

IP(EA), eV:

 -8.75(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)[C@]2(CN3C(=CC=C3C(=O)N2CC4=CC=CC=N4)C5=CC=CO5)C

DOS

IR

Vibrations