Geometry & MOs

Info

ID:	200678
PubChem CID:	79426357
Reduced:	F3O3C9H13 (1)
Stoich.:	A3B3C9D13 (1)
Weight, g/mol:	286.009825
ΔH_f, kcal/mol:	-313.26
Dipole, Da:	3.09
IP(EA), eV:	-10.29(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

C1COCCC1(CCC(F)(F)F)C(=O)O

DOS

IR

Vibrations