Geometry & MOs

Info

ID:

442747

PubChem CID:

135256086

Reduced:

ON4C14H14 (2)

Stoich.:

AB4C14D14 (2)

Weight, g/mol:

508.233522

ΔHf, kcal/mol:

81.51

Dipole, Da:

8.14

IP(EA), eV:

 -9.19(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(1R)-1-[6-[[4-[2-amino-6-(3-cyanophenyl)pyridin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]ethyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N[C@@H]6CCOC6)O

DOS

IR

Vibrations