Geometry & MOs

Info

ID:	263140
PubChem CID:	103341715
Reduced:	ClON3H6C9 (1)
Stoich.:	ABC3D6E9 (1)
Weight, g/mol:	193.040675
ΔH_f, kcal/mol:	37.06
Dipole, Da:	1.3
IP(EA), eV:	-9.22(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methyl-6-(1H-pyrrol-2-yl)pyrimidine

Drug info:

PubChemData

Smile

C1=CNC(=C1)C2=C(C(=NC=N2)Cl)C=O

DOS

IR

Vibrations