Geometry & MOs

Info

ID:	423338
PubChem CID:	135119329
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-122.73
Dipole, Da:	4.44
IP(EA), eV:	-9.35(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[methyl-[2-(4-propoxyphenoxy)ethyl]amino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCC(=O)N2CCC(C2)OC

DOS

IR

Vibrations