Geometry & MOs

Info

ID:	415424
PubChem CID:	135088418
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	320.153621
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	2.84
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-fluoro-4-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OCC3=CN(CCCC(=O)N4C[C@@H]5CC[C@H]4CN(C5)C2)N=N3

DOS

IR

Vibrations