Geometry & MOs

Info

ID:	254375
PubChem CID:	103124776
Reduced:	ON2H8C11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	268.132411
ΔH_f, kcal/mol:	89.19
Dipole, Da:	5.28
IP(EA), eV:	-9.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylindazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)C#C

DOS

IR

Vibrations