Geometry & MOs

Info

ID:

426557

PubChem CID:

135147703

Reduced:

ON8C21H26 (1)

Stoich.:

AB8C21D26 (1)

Weight, g/mol:

705.306353

ΔHf, kcal/mol:

90.11

Dipole, Da:

3.39

IP(EA), eV:

 -8.33(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[7-cyano-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]-2-azabicyclo[2.1.1]hexane-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C2=NC3=C(C(=C2)NCC4=NN(N=C4)C)C(=NN3C)C(C)C

DOS

IR

Vibrations