Geometry & MOs

Info

ID:	162835
PubChem CID:	57571085
Reduced:	F3O3N4C20H23 (1)
Stoich.:	A3B3C4D20E23 (1)
Weight, g/mol:	403.201968
ΔH_f, kcal/mol:	-236.26
Dipole, Da:	4.17
IP(EA), eV:	-9.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-[(5-fluoro-4-methylpyridin-2-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=CC(=C(C=C3F)F)F

DOS

IR

Vibrations