Geometry & MOs

Info

ID:	421384
PubChem CID:	135115900
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	380.18667
ΔH_f, kcal/mol:	9.77
Dipole, Da:	2.09
IP(EA), eV:	-8.77(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC3=CC=CC=N3)C4=C1SC=C4

DOS

IR

Vibrations