Geometry & MOs

Info

ID:	319136
PubChem CID:	126655086
Reduced:	SN2O4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	-113.25
Dipole, Da:	5.13
IP(EA), eV:	-8.67(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7a-methyl-6-phenylmethoxy-1,2,3,3a,4,5,6,7-octahydroindole

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C2C(=C1)C=CN2CC=O)O

DOS

IR

Vibrations