Geometry & MOs

Info

ID:	379653
PubChem CID:	134454523
Reduced:	N2O3C6H14 (1)
Stoich.:	A2B3C6D14 (1)
Weight, g/mol:	374.180584
ΔH_f, kcal/mol:	-141.35
Dipole, Da:	4.3
IP(EA), eV:	-9.86(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(3aS,6aR)-5-(2-fluoropyridin-3-yl)oxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propan-2-yl]-2-fluorophenol

Drug info:

PubChemData

Smile

CNCC(C(=O)NCCO)O

DOS

IR

Vibrations