Geometry & MOs

Info

ID:	419494
PubChem CID:	135108277
Reduced:	N8C13H14 (1)
Stoich.:	A8B13C14 (1)
Weight, g/mol:	363.171355
ΔH_f, kcal/mol:	122.13
Dipole, Da:	4.38
IP(EA), eV:	-9.51(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]-N-[2-(4-chlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCC2=NC(=NN2)C3=NC=CN=C3)C

DOS

IR

Vibrations