Geometry & MOs

Info

ID:	130874
PubChem CID:	51119581
Reduced:	ON3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	398.0266
ΔH_f, kcal/mol:	88.42
Dipole, Da:	8.11
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-oxopyrrolidin-1-yl)phenyl] 6-bromo-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C#CCN(C1CCC2=CC=CC=C12)C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations