Geometry & MOs

Info

ID:	418290
PubChem CID:	135104077
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	360.277678
ΔH_f, kcal/mol:	-76.25
Dipole, Da:	4.37
IP(EA), eV:	-9.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]-2-propoxyphenyl]methanol

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)CCC3=CC=NC=C3

DOS

IR

Vibrations