Geometry & MOs

Info

ID:	342058
PubChem CID:	127264771
Reduced:	ON2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	248.106196
ΔH_f, kcal/mol:	55.08
Dipole, Da:	1.85
IP(EA), eV:	-8.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-phenylpyrazol-4-yl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1C(=CC2=CC=CC=C2O1)C=CC3=NC=NC=C3

DOS

IR

Vibrations