Geometry & MOs

Info

ID:	397789
PubChem CID:	135030732
Reduced:	BNO5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	318.00039
ΔH_f, kcal/mol:	-115.75
Dipole, Da:	3.49
IP(EA), eV:	-8.31(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-3-(5-bromo-1H-indol-3-yl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

[B][C@H]1C(C([C@H](O1)CCC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O

DOS

IR

Vibrations