Geometry & MOs

Info

ID:	259282
PubChem CID:	103162401
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	258.100442
ΔH_f, kcal/mol:	-99.75
Dipole, Da:	4.79
IP(EA), eV:	-10.25(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-1-(5-nitro-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C2=CNC(=C2)C(=O)O

DOS

IR

Vibrations