Geometry & MOs

Info

ID:	264305
PubChem CID:	103453248
Reduced:	BrFOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	196.040341
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	2.09
IP(EA), eV:	-9.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-amino-5-chloropyridin-3-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

C/C=C/C(=O)CC1=C(C(=CC=C1)F)Br

DOS

IR

Vibrations