Geometry & MOs

Info

ID:	314218
PubChem CID:	126620943
Reduced:	NSO3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	219.96361
ΔH_f, kcal/mol:	-108.28
Dipole, Da:	4.1
IP(EA), eV:	-8.79(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1H-indole-5-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)N1C[C@@H]2C[C@H]1CS2=O

DOS

IR

Vibrations