Geometry & MOs

Info

ID:	416379
PubChem CID:	135089392
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-92.97
Dipole, Da:	6.42
IP(EA), eV:	-9.21(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[methyl-[[4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]methyl]amino]-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CN2CC(CC2=O)C3=CC=CC=C3

DOS

IR

Vibrations