Geometry & MOs

Info

ID:	254324
PubChem CID:	103124323
Reduced:	ClN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	256.067034
ΔH_f, kcal/mol:	0.04
Dipole, Da:	8.47
IP(EA), eV:	-8.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-3-yl)-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CC(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations