Geometry & MOs

Info

ID:	433853
PubChem CID:	135173996
Reduced:	FO2N8H21C23 (1)
Stoich.:	AB2C8D21E23 (1)
Weight, g/mol:	298.0117
ΔH_f, kcal/mol:	-1.92
Dipole, Da:	4.98
IP(EA), eV:	-8.58(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-fluoro-1-(oxan-2-yl)indazole

Drug info:

PubChemData

Smile

CC(C)N1C2=NC(=NC(=C2N(C1=O)C3=CC=CC4=C3C=NN4)N)NC5=C(C=C(C=C5)C(=O)C)F

DOS

IR

Vibrations