Geometry & MOs

Info

ID:	290382
PubChem CID:	104440217
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	296.109169
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	6.58
IP(EA), eV:	-9.25(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)N1CC2CCCC(C2C1)N)COC

DOS

IR

Vibrations