Geometry & MOs

Info

ID:	420879
PubChem CID:	135114981
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	-73.12
Dipole, Da:	6.36
IP(EA), eV:	-9.61(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[2-(2,3-dimethylphenoxy)ethyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

CC(C)(C(=O)N[C@H]1COC[C@H]1CC2=CC=NC=C2)N

DOS

IR

Vibrations