Geometry & MOs

Info

ID:	419052
PubChem CID:	135107390
Reduced:	ClFNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-174.4
Dipole, Da:	6.2
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

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C1CN(C[C@H]([C@H]1C(=O)O)O)CC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations