Geometry & MOs

Info

ID:	447660
PubChem CID:	135284514
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	294.068367
ΔH_f, kcal/mol:	-21.79
Dipole, Da:	3.05
IP(EA), eV:	-9.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-chloro-6-fluoropyridin-3-yl)-N-(oxolan-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC=NC3=CC=NN23)C#N)NC(=O)O

DOS

IR

Vibrations