Geometry & MOs

Info

ID:

238485

PubChem CID:

92741455

Reduced:

N3O4C28H33 (1)

Stoich.:

A3B4C28D33 (1)

Weight, g/mol:

463.22712

ΔHf, kcal/mol:

-110.45

Dipole, Da:

4.72

IP(EA), eV:

 -8.6(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-2-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-N-[(1S,2R)-2-methylcyclohexyl]-1-oxo-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=C4OC)C5=CC=CO5)C

DOS

IR

Vibrations