Geometry & MOs

Info

ID:	403013
PubChem CID:	135058324
Reduced:	BrO8H23C24 (1)
Stoich.:	AB8C23D24 (1)
Weight, g/mol:	301.204179
ΔH_f, kcal/mol:	-249.5
Dipole, Da:	4.99
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 1,5-dimethylindole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC2CC(=O)OC2)/C=C/C(=O)OC)OCC3=C(C=CC4=C3OCO4)Br

DOS

IR

Vibrations