Geometry & MOs

Info

ID:	177643
PubChem CID:	76207839
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-112.47
Dipole, Da:	2.53
IP(EA), eV:	-9.03(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(oxan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCOC(C1)C(=O)NC2CCC3CNCC3C2

DOS

IR

Vibrations