Geometry & MOs

Info

ID:	312334
PubChem CID:	126604327
Reduced:	FO2N7H22C26 (1)
Stoich.:	AB2C7D22E26 (1)
Weight, g/mol:	457.166251
ΔH_f, kcal/mol:	46.7
Dipole, Da:	6.08
IP(EA), eV:	-8.89(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-yl]-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

C=C(C#N)C(=O)N1CCC[C@H]1CN2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N

DOS

IR

Vibrations