Geometry & MOs

Info

ID:	326192
PubChem CID:	126687039
Reduced:	ClFO2N3C10H13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	-111.93
Dipole, Da:	3.73
IP(EA), eV:	-9.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3aR,6aS)-5-(2-phenylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethyl]phenol

Drug info:

PubChemData

Smile

C1C[C@@H](C([C@@H](C1)O)O)NC2=NC(=NC=C2F)Cl

DOS

IR

Vibrations