Geometry & MOs

Info

ID:	309387
PubChem CID:	126545886
Reduced:	NH23C25 (1)
Stoich.:	AB23C25 (1)
Weight, g/mol:	410.142024
ΔH_f, kcal/mol:	86.46
Dipole, Da:	2.01
IP(EA), eV:	-7.97(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[3-fluoro-1-(3-phosphanylpyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C=C\1/C(NC2=C(C=C(C=C12)C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations