Geometry & MOs

Info

ID:	289111
PubChem CID:	104336306
Reduced:	ClOF3N3H9C12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	283.054611
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	3.44
IP(EA), eV:	-9.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(methoxymethyl)-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)Cl)NC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations