Geometry & MOs

Info

ID:	419926
PubChem CID:	135109819
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-95.52
Dipole, Da:	5.44
IP(EA), eV:	-8.75(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-2-(2,3,6-trimethylphenoxy)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N(C)C)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O

DOS

IR

Vibrations