Geometry & MOs

Info

ID:	391935
PubChem CID:	135011136
Reduced:	NF2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	456.98235
ΔH_f, kcal/mol:	-144.08
Dipole, Da:	5.23
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(5,7-dibromo-2H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N/C=C/C(C(F)(F)F)(NC2=CC=CC=C2)F

DOS

IR

Vibrations