Geometry & MOs

Info

ID:	265893
PubChem CID:	103556006
Reduced:	BrSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-48.19
Dipole, Da:	3.87
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethoxy-1H-indol-3-yl)-2-(1-methoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

COC1(CCC1)CC(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations