Geometry & MOs

Info

ID:	254416
PubChem CID:	103125120
Reduced:	ON3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	57.69
Dipole, Da:	2.89
IP(EA), eV:	-9.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenyl)-1-(1-methylindazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations