Geometry & MOs

Info

ID:	171729
PubChem CID:	75418473
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	364.088164
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	2.72
IP(EA), eV:	-8.79(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 2-(2H-indazol-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=NC(=C(O3)C)C

DOS

IR

Vibrations