Geometry & MOs

Info

ID:	168480
PubChem CID:	74974778
Reduced:	ClFON3C14H19 (1)
Stoich.:	ABCD3E14F19 (1)
Weight, g/mol:	510.204925
ΔH_f, kcal/mol:	-75.76
Dipole, Da:	4.56
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxy-1-(4-methylsulfonylphenyl)ethanimine

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)CC(=O)NCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations