Geometry & MOs

Info

ID:	342470
PubChem CID:	127265625
Reduced:	N3H9C13 (1)
Stoich.:	A3B9C13 (1)
Weight, g/mol:	218.065555
ΔH_f, kcal/mol:	112.37
Dipole, Da:	2.63
IP(EA), eV:	-9.78(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,5-difluorophenyl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC2=NC=NC=C2)C#N

DOS

IR

Vibrations