Geometry & MOs

Info

ID:	414502
PubChem CID:	135087461
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	412.216221
ΔH_f, kcal/mol:	26.55
Dipole, Da:	6.0
IP(EA), eV:	-8.48(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C3=C(C=C4CCCCC4=N3)C#N

DOS

IR

Vibrations