Geometry & MOs

Info

ID:	401368
PubChem CID:	135051070
Reduced:	BNC21H31 (1)
Stoich.:	ABC21D31 (1)
Weight, g/mol:	320.254955
ΔH_f, kcal/mol:	8.39
Dipole, Da:	6.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.093080
Charge, e:	-1

Chem-info

IUPAC name:

2-(9-cyclopentyl-9-boranuidabicyclo[3.3.1]nonan-9-yl)-1-methylindole

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)(C3=CC4=CC=CC=C4N3C)C(C)CC

DOS

IR

Vibrations