Geometry & MOs

Info

ID:	342471
PubChem CID:	127265626
Reduced:	FNH4C6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	-12.82
Dipole, Da:	2.45
IP(EA), eV:	-9.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(pyridin-3-ylmethoxy)phenyl]ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C=CC2=NC=NC=C2)F

DOS

IR

Vibrations