Geometry & MOs

Info

ID:	186480
PubChem CID:	77438846
Reduced:	F2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-12.26
Dipole, Da:	4.96
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CC2C(CC1C3=C(C=CC=C3F)F)C(NN2)C4=CN=CC(=N4)N5CCC(C5)N

DOS

IR

Vibrations