Geometry & MOs

Info

ID:	254291
PubChem CID:	103124023
Reduced:	FON3H8C13 (1)
Stoich.:	ABC3D8E13 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	22.48
Dipole, Da:	4.9
IP(EA), eV:	-9.53(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(1-methylindazol-3-yl)heptan-1-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)C3=CC(=CN=C3)F

DOS

IR

Vibrations