Geometry & MOs

Info

ID:	423869
PubChem CID:	135120544
Reduced:	FON4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	4.63
IP(EA), eV:	-9.12(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[[3-ethoxy-4-(2-methylprop-2-enoxy)phenyl]methyl-methylamino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)CCC2=CC=C(C=C2)F

DOS

IR

Vibrations