Geometry & MOs

Info

ID:	333935
PubChem CID:	127252487
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-110.82
Dipole, Da:	2.97
IP(EA), eV:	-8.53(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aS,7aR)-3-(4-ethylphenyl)-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridin-1-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@]2([C@H]1CCCN2CCOC)C

DOS

IR

Vibrations