Geometry & MOs

Info

ID:	446635
PubChem CID:	135276539
Reduced:	ON3C14H19 (2)
Stoich.:	AB3C14D19 (2)
Weight, g/mol:	511.270716
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	4.28
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[5-[3-fluoro-1-(oxolan-3-yl)piperidin-4-yl]-2-methanimidoyl-4-methylanilino]-2-methoxypyrimidin-4-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4CCOC4)N(N=C2)C5=NC(=NC(=C5)NCC[C@@H]6CCOC6)C

DOS

IR

Vibrations