Geometry & MOs

Info

ID:	446283
PubChem CID:	135273774
Reduced:	BrClIPN2H6C7 (1)
Stoich.:	ABCDE2F6G7 (1)
Weight, g/mol:	359.131302
ΔH_f, kcal/mol:	18.31
Dipole, Da:	1.63
IP(EA), eV:	-9.52(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-2-methylpyrimidin-4-yl)-6-(3-fluoropiperidin-4-yl)-5-methylindazole

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)Br)NPI)C=N

DOS

IR

Vibrations