Geometry & MOs

Info

ID:	372264
PubChem CID:	131294845
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	262.01056
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	2.34
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-1-ethylindol-3-yl)acetonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=CC(=C1)N)SC(=N2)C

DOS

IR

Vibrations