Geometry & MOs

Info

ID:	422931
PubChem CID:	135118640
Reduced:	NO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	301.215413
ΔH_f, kcal/mol:	-158.75
Dipole, Da:	2.49
IP(EA), eV:	-9.12(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[(5-ethylpyridin-2-yl)methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(O1)CN2C[C@@H](C[C@H]2C(=O)O)O

DOS

IR

Vibrations