Geometry & MOs

Info

ID:	216328
PubChem CID:	85086055
Reduced:	ClOH4C6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	255.085521
ΔH_f, kcal/mol:	-20.7
Dipole, Da:	3.38
IP(EA), eV:	-10.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxyethenyl)-2,6-dimethoxy-5-nitropyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC=O)Cl)C(=CC=O)Cl

DOS

IR

Vibrations