Geometry & MOs

Info

ID:	85266
PubChem CID:	49873324
Reduced:	FN4H7C11 (2)
Stoich.:	AB4C7D11 (2)
Weight, g/mol:	428.130949
ΔH_f, kcal/mol:	100.37
Dipole, Da:	2.21
IP(EA), eV:	-9.4(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(1R)-1-[6-fluoro-3-(5-fluoropyridin-3-yl)quinolin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C2C=C(C=CC2=N1)F)C3=CC(=CN=C3)F)N4C5=NC=NC(=C5C(=N4)C#N)N

DOS

IR

Vibrations