Geometry & MOs

Info

ID:	254359
PubChem CID:	103124651
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	53.07
Dipole, Da:	2.94
IP(EA), eV:	-9.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-3-yl)hex-5-en-1-one

Drug info:

PubChemData

Smile

C1CC1CC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations