Geometry & MOs

Info

ID:	417186
PubChem CID:	135091589
Reduced:	O2N3C25H41 (1)
Stoich.:	A2B3C25D41 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-82.38
Dipole, Da:	1.8
IP(EA), eV:	-8.3(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7aS)-4-ethyl-2-(6-propan-2-ylpyridin-2-yl)-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCOC2=CC=CC=C2CN3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations