Geometry & MOs

Info

ID:	420917
PubChem CID:	135115038
Reduced:	FO2N4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	-96.07
Dipole, Da:	4.31
IP(EA), eV:	-8.49(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=O)C(=CNC1=O)CCN2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations