Geometry & MOs

Info

ID:	309431
PubChem CID:	126546236
Reduced:	FN6H15C17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	392.151446
ΔH_f, kcal/mol:	90.6
Dipole, Da:	6.88
IP(EA), eV:	-9.1(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=CC=N1)F)NC2=NC=C(C=N2)C3=NC=C(C3)C#N

DOS

IR

Vibrations