Geometry & MOs

Info

ID:	254917
PubChem CID:	103128663
Reduced:	BrFON2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	2.27
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-(1-methylindazol-3-yl)ethanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(CC3=C(C=CC(=C3)Br)F)O

DOS

IR

Vibrations