Geometry & MOs

Info

ID:	417442
PubChem CID:	135094117
Reduced:	SO4N5C16H21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	-89.37
Dipole, Da:	4.33
IP(EA), eV:	-9.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=CC=C2)N3C=NN=C3

DOS

IR

Vibrations