Geometry & MOs

Info

ID:	254880
PubChem CID:	103128471
Reduced:	ClFN3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	20.29
Dipole, Da:	2.35
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(1-methylindazol-3-yl)butan-1-ol

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(CC3=C(C=CC(=C3)Cl)F)N

DOS

IR

Vibrations