Geometry & MOs

Info

ID:	162842
PubChem CID:	57571127
Reduced:	FO3N5C20H26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-144.1
Dipole, Da:	3.04
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-(4-cyano-3-methoxyanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1F)NC2=CC(=NC=N2)OC3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations