Geometry & MOs

Info

ID:

238482

PubChem CID:

92741431

Reduced:

N3O3C27H31 (1)

Stoich.:

A3B3C27D31 (1)

Weight, g/mol:

459.252192

ΔHf, kcal/mol:

-65.76

Dipole, Da:

5.76

IP(EA), eV:

 -8.72(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-6-(furan-2-yl)-3-methyl-N-[(1S,2R)-2-methylcyclohexyl]-2-[(4-methylphenyl)methyl]-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=C4)C5=CC=CO5)C

DOS

IR

Vibrations