Geometry & MOs

Info

ID:	342468
PubChem CID:	127265623
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	-33.15
Dipole, Da:	3.07
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-ethoxyphenyl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC2=NC=NC=C2

DOS

IR

Vibrations