Geometry & MOs

Info

ID:	288646
PubChem CID:	104322793
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	3.33
IP(EA), eV:	-8.86(2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC1NCCCN2CC3CCC(C3C2)O

DOS

IR

Vibrations