Geometry & MOs

Info

ID:	237968
PubChem CID:	92723309
Reduced:	ClN3O3H24C27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	331.157229
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	4.65
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C(=O)N([C@@H]3C4=CC=C(C=C4)OC)CC(=O)NCC5=CC=CC=C5Cl

DOS

IR

Vibrations