Geometry & MOs

Info

ID:

446177

PubChem CID:

135272966

Reduced:

O2N8H28C35 (1)

Stoich.:

A2B8C28D35 (1)

Weight, g/mol:

555.274659

ΔHf, kcal/mol:

158.86

Dipole, Da:

10.24

IP(EA), eV:

 -9.07(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[1-[(6-cyclopentylpyridin-2-yl)methyl]triazol-4-yl]-6-[[(1S)-2-methoxy-1-phenylethyl]amino]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)NC(=O)COC6=CC=CC=C6

DOS

IR

Vibrations