Geometry & MOs

Info

ID:

378384

PubChem CID:

134224463

Reduced:

O2N7C28H35 (1)

Stoich.:

A2B7C28D35 (1)

Weight, g/mol:

543.332174

ΔHf, kcal/mol:

8.19

Dipole, Da:

1.54

IP(EA), eV:

 -8.77(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]amino]-2-(dimethylamino)-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(NC1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O)N

DOS

IR

Vibrations