Geometry & MOs

Info

ID:	342694
PubChem CID:	127265854
Reduced:	FNOH5C7 (2)
Stoich.:	ABCD5E7 (2)
Weight, g/mol:	280.007326
ΔH_f, kcal/mol:	-98.68
Dipole, Da:	1.92
IP(EA), eV:	-10.08(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CN=C1C=CC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations