Geometry & MOs

Info

ID:	254374
PubChem CID:	103124772
Reduced:	ON4H10C13 (1)
Stoich.:	AB4C10D13 (1)
Weight, g/mol:	184.063663
ΔH_f, kcal/mol:	71.66
Dipole, Da:	2.6
IP(EA), eV:	-9.66(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-3-yl)prop-2-yn-1-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations