Geometry & MOs

Info

ID:	374382
PubChem CID:	131327780
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	235.99491
ΔH_f, kcal/mol:	3.28
Dipole, Da:	5.6
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-bromo-2-methyl-2,3-dihydro-1H-indole-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(C=CC(=C2N1)C#N)OC

DOS

IR

Vibrations