Geometry & MOs

Info

ID:	342333
PubChem CID:	127265151
Reduced:	ON3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	286.121846
ΔH_f, kcal/mol:	79.4
Dipole, Da:	3.86
IP(EA), eV:	-9.2(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(2-pyrimidin-4-ylethenyl)phenyl]ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CO2)C=CC3=NC=NC=C3

DOS

IR

Vibrations