Geometry & MOs

Info

ID:	417948
PubChem CID:	135103161
Reduced:	ClON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	310.124819
ΔH_f, kcal/mol:	17.67
Dipole, Da:	3.48
IP(EA), eV:	-9.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(2-chloro-4-fluorophenyl)methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CCN2C=C(C=N2)Cl)O)CC3=CC=NC=C3

DOS

IR

Vibrations