Geometry & MOs

Info

ID:

190788

PubChem CID:

78056908

Reduced:

ClFO3N8C31H32 (1)

Stoich.:

ABC3D8E31F32 (1)

Weight, g/mol:

462.168335

ΔHf, kcal/mol:

-62.92

Dipole, Da:

7.6

IP(EA), eV:

 -8.78(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[4-amino-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-1-yl]pyridin-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)N(C)C)NC1=O)NC(=O)C4=C(N(N=N4)C5=C(C(=CC=C5)Cl)F)C

DOS

IR

Vibrations