Geometry & MOs

Info

ID:

238487

PubChem CID:

92741477

Reduced:

N3O4C29H35 (1)

Stoich.:

A3B4C29D35 (1)

Weight, g/mol:

459.252192

ΔHf, kcal/mol:

-117.9

Dipole, Da:

4.88

IP(EA), eV:

 -8.6(-0.39)

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-[(2-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN2C(=O)C3=CC=C(N3C[C@@]2(C)C(=O)N[C@@H]4CCCC[C@@H]4C)C5=CC=CO5

DOS

IR

Vibrations