Geometry & MOs

Info

ID:

238496

PubChem CID:

92741515

Reduced:

N3O4C29H35 (1)

Stoich.:

A3B4C29D35 (1)

Weight, g/mol:

489.262757

ΔHf, kcal/mol:

-112.16

Dipole, Da:

8.51

IP(EA), eV:

 -8.57(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-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)N2CC4=CC(=CC=C4)OC)C5=CC=CO5)C

DOS

IR

Vibrations