Geometry & MOs

Info

ID:	184315
PubChem CID:	77144805
Reduced:	OF2N5H17C21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	472.222289
ΔH_f, kcal/mol:	16.25
Dipole, Da:	5.03
IP(EA), eV:	-9.28(-2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-4-yl]amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)NC2=CC3=C(C=C2)N=NC3=C4N=C5C=CC=CC5=N4)(F)F

DOS

IR

Vibrations