Geometry & MOs

Info

ID:	415148
PubChem CID:	135088134
Reduced:	OF3N5C13H18 (1)
Stoich.:	AB3C5D13E18 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-104.32
Dipole, Da:	5.18
IP(EA), eV:	-9.13(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCN(C)CC2=NC(=NO2)C(F)(F)F)C

DOS

IR

Vibrations