Geometry & MOs

Info

ID:	176059
PubChem CID:	75989798
Reduced:	O5H12C13 (1)
Stoich.:	A5B12C13 (1)
Weight, g/mol:	397.06774
ΔH_f, kcal/mol:	-164.51
Dipole, Da:	8.3
IP(EA), eV:	-9.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromophenyl)methyl]-3-(3-oxocyclohexyl)-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(=O)OCC=C1C2=C(C=C(C=C2)OC)C(=O)O1

DOS

IR

Vibrations