Geometry & MOs

Info

ID:	77509
PubChem CID:	49649856
Reduced:	O3N4H14C15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	344.01604
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	4.0
IP(EA), eV:	-8.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-1H-indole-2-carbonyl)-3-cyclobutyl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)CN2C(=O)N3C=CC=CC3=N2

DOS

IR

Vibrations