Geometry & MOs

Info

ID:	230141
PubChem CID:	87570292
Reduced:	ClN2O2F6H17C21 (1)
Stoich.:	AB2C2D6E17F21 (1)
Weight, g/mol:	344.115237
ΔH_f, kcal/mol:	-372.99
Dipole, Da:	3.83
IP(EA), eV:	-10.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-chloro-6-propan-2-ylpyridin-3-yl)-4-ethoxypteridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(C3=C(C2=O)C=CC(=C3)Cl)C(=O)NCCCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations