Geometry & MOs

Info

ID:	291796
PubChem CID:	113526785
Reduced:	BrClN5C11H11 (1)
Stoich.:	ABC5D11E11 (1)
Weight, g/mol:	250.15037
ΔH_f, kcal/mol:	119.98
Dipole, Da:	2.8
IP(EA), eV:	-10.04(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydroindol-1-yl)-4-ethylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)C(C#N)NCCCN=[N+]=[N-]

DOS

IR

Vibrations