Geometry & MOs

Info

ID:

238489

PubChem CID:

92741490

Reduced:

O3N4C26H30 (1)

Stoich.:

A3B4C26D30 (1)

Weight, g/mol:

446.231791

ΔHf, kcal/mol:

-53.7

Dipole, Da:

4.77

IP(EA), eV:

 -8.57(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-6-(furan-2-yl)-3-methyl-N-[(1R,2R)-2-methylcyclohexyl]-1-oxo-2-(pyridin-2-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