Geometry & MOs

Info

ID:	254325
PubChem CID:	103124329
Reduced:	OSN2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	54.45
Dipole, Da:	4.76
IP(EA), eV:	-8.91(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(1-methylindazol-3-yl)hexan-1-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)CC3=CSC=C3

DOS

IR

Vibrations