Geometry & MOs

Info

ID:	200519
PubChem CID:	79404907
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-51.69
Dipole, Da:	2.51
IP(EA), eV:	-8.94(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylindazol-3-yl)hexan-2-one

Drug info:

PubChemData

Smile

CCCCC(=O)CC1=CC2=C(CCC2)C=C1

DOS

IR

Vibrations