Geometry & MOs

Info

ID:

222858

PubChem CID:

85332785

Reduced:

BClN2O4C32H42 (1)

Stoich.:

ABC2D4E32F42 (1)

Weight, g/mol:

569.263819

ΔHf, kcal/mol:

-241.08

Dipole, Da:

4.73

IP(EA), eV:

 -9.41(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-phenoxybenzamide

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations