Geometry & MOs

Info

ID:	208592
PubChem CID:	80550429
Reduced:	ClNF2H3C6 (2)
Stoich.:	ABC2D3E6 (2)
Weight, g/mol:	261.953453
ΔH_f, kcal/mol:	-154.61
Dipole, Da:	3.26
IP(EA), eV:	-10.25(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-fluoro-2-(thiophen-2-ylmethyl)pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CC2=NC(=C(C(=N2)Cl)F)Cl

DOS

IR

Vibrations