Geometry & MOs

Info

ID:	34069
PubChem CID:	7889697
Reduced:	BrO2H15C20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	356.116092
ΔH_f, kcal/mol:	-8.74
Dipole, Da:	1.94
IP(EA), eV:	-9.2(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations