Geometry & MOs

Info

ID:	378981
PubChem CID:	134228756
Reduced:	FNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	262.042152
ΔH_f, kcal/mol:	-59.8
Dipole, Da:	2.97
IP(EA), eV:	-9.34(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloropyrimidin-4-yl)-7-fluoro-1-methylindazole

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=C(C=C2F)C(C)C

DOS

IR

Vibrations