Geometry & MOs

Info

ID:	438313
PubChem CID:	135228046
Reduced:	BrFN3H13C20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	223.099714
ΔH_f, kcal/mol:	79.44
Dipole, Da:	3.88
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-(3-prop-1-en-2-ylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=C3C=C(C=CC3=NC=C2)Br)C4=C(C=CC=N4)F

DOS

IR

Vibrations