Geometry & MOs

Info

ID:	378955
PubChem CID:	134228547
Reduced:	BrFN2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	302.073452
ΔH_f, kcal/mol:	23.08
Dipole, Da:	5.6
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloropyrimidin-4-yl)-7-fluoro-2-methyl-3-prop-1-en-2-ylindazole

Drug info:

PubChemData

Smile

CC(=C)C1=C2C=C(C=C(C2=NN1C)F)Br

DOS

IR

Vibrations