Geometry & MOs

Info

ID:

319801

PubChem CID:

126657328

Reduced:

NOC10H11 (1)

Stoich.:

ABC10D11 (1)

Weight, g/mol:

706.345198

ΔHf, kcal/mol:

-1.74

Dipole, Da:

2.89

IP(EA), eV:

 -9.85(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-[4-[3-[[4-[[3-[1-[(2S)-2,3-dihydroxy-2-methylpropyl]triazol-4-yl]-5-[(4-methylpyrimidin-2-yl)amino]phenyl]methyl]-6-methylpyrimidin-2-yl]amino]-5-methylphenyl]triazol-1-yl]-2-methylpropane-1,2-diol

Drug info:

PubChemData

Smile

C/C=C/C(=O)C1=CC=CC(=N1)C

DOS

IR

Vibrations