Geometry & MOs

Info

ID:	418952
PubChem CID:	135107215
Reduced:	N4O5C24H36 (1)
Stoich.:	A4B5C24D36 (1)
Weight, g/mol:	341.135111
ΔH_f, kcal/mol:	-159.06
Dipole, Da:	1.54
IP(EA), eV:	-9.0(-0.33)
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-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCCNC(=O)[C@@H]2C[C@@H](CN2)OC3=C(C=C(CCC(=O)NCCC1)C=C3)OC

DOS

IR

Vibrations