Geometry & MOs

Info

ID:	162840
PubChem CID:	57571115
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	418.201634
ΔH_f, kcal/mol:	-82.86
Dipole, Da:	4.9
IP(EA), eV:	-9.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[6-(3-fluoro-4-methoxyanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=CC=NC=C3

DOS

IR

Vibrations