Geometry & MOs

Info

ID:	162841
PubChem CID:	57571123
Reduced:	FN4O4C21H27 (1)
Stoich.:	AB4C4D21E27 (1)
Weight, g/mol:	403.201968
ΔH_f, kcal/mol:	-185.56
Dipole, Da:	5.78
IP(EA), eV:	-8.82(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-[(6-fluoro-5-methylpyridin-3-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=C3)OC)F

DOS

IR

Vibrations