Geometry & MOs

Info

ID:	417945
PubChem CID:	135103158
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-94.29
Dipole, Da:	3.74
IP(EA), eV:	-8.96(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)N(CCO)CC2=NC=CN2)O

DOS

IR

Vibrations