Geometry & MOs

Info

ID:	170880
PubChem CID:	75291836
Reduced:	BO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	461.09904
ΔH_f, kcal/mol:	-165.81
Dipole, Da:	3.8
IP(EA), eV:	-9.54(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-bromo-3-hydroxy-3-(1-phenylpent-2-enyl)indol-2-one

Drug info:

PubChemData

Smile

B1(OC(C(O1)C=CC(=O)C)CCC)C2=CC=CC=C2

DOS

IR

Vibrations