Geometry & MOs

Info

ID:

180577

PubChem CID:

76656445

Reduced:

ON5C28H33 (1)

Stoich.:

AB5C28D33 (1)

Weight, g/mol:

523.180444

ΔHf, kcal/mol:

34.23

Dipole, Da:

1.43

IP(EA), eV:

 -8.6(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[[4-hydroxy-6-(1-methylpyrrolidin-1-ium-2-carbonyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CN1CCCNC(=O)C2CCCN2CC3=CC=CC(=C3)CC4=NC=CC(=N4)C5=CC=C(C1)C=C5

DOS

IR

Vibrations