Geometry & MOs

Info

ID:	421476
PubChem CID:	135116068
Reduced:	O2N3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	6.84
IP(EA), eV:	-8.67(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-[benzyl(methyl)amino]ethanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)CC3=CC=CC=C3OCCCCN4C=CN=C4)O

DOS

IR

Vibrations