Geometry & MOs

Info

ID:	342676
PubChem CID:	127265836
Reduced:	ClOSN3H8C13 (1)
Stoich.:	ABCD3E8F13 (1)
Weight, g/mol:	222.001847
ΔH_f, kcal/mol:	54.87
Dipole, Da:	6.93
IP(EA), eV:	-9.47(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chlorothiophen-2-yl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CN=CC2=C1C(=O)N=C(N2)C=CC3=C(C=CS3)Cl

DOS

IR

Vibrations