Geometry & MOs

Info

ID:

442762

PubChem CID:

135256107

Reduced:

ON4C14H15 (2)

Stoich.:

AB4C14D15 (2)

Weight, g/mol:

496.233522

ΔHf, kcal/mol:

58.52

Dipole, Da:

9.6

IP(EA), eV:

 -9.34(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-6-[1-[[6-(1-methoxyethyl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=N1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)NC(C)(C)CC(=O)O

DOS

IR

Vibrations