Geometry & MOs

Info

ID:	288692
PubChem CID:	104323957
Reduced:	BNOF3C8H14 (1)
Stoich.:	ABCD3E8F14 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-320.26
Dipole, Da:	8.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759018
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

[B-](CN1CC2CCC(C2C1)O)(F)(F)F

DOS

IR

Vibrations