Geometry & MOs

Info

ID:	402279
PubChem CID:	135055338
Reduced:	NSSiO2C24H27 (1)
Stoich.:	ABCD2E24F27 (1)
Weight, g/mol:	291.02588
ΔH_f, kcal/mol:	-44.49
Dipole, Da:	6.54
IP(EA), eV:	-8.29(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aR)-5-(4-bromophenyl)-2,3,8,8a-tetrahydro-1H-indolizin-7-one

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=C2CCCC2=CC3[C@@H]1C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations