Geometry & MOs

Info

ID:	266021
PubChem CID:	103557677
Reduced:	BrClO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	293.118257
ΔH_f, kcal/mol:	-108.01
Dipole, Da:	2.92
IP(EA), eV:	-8.68(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-chloro-2-(1-methoxycyclobutyl)ethyl]-1-methyl-3H-indol-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(CC2(CCC2)OC)Cl)Br)OC

DOS

IR

Vibrations