Geometry & MOs

Info

ID:	59886
PubChem CID:	24902213
Reduced:	ClN3H8C12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	270.99601
ΔH_f, kcal/mol:	78.1
Dipole, Da:	5.58
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2,4-difluoro-5-nitrophenyl)pyrimidine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CN2)C=C1C3=CC(=NC=N3)Cl

DOS

IR

Vibrations