Geometry & MOs

Info

ID:	420456
PubChem CID:	135113221
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-199.85
Dipole, Da:	8.93
IP(EA), eV:	-8.92(-1.0)
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]-4-(4-ethoxy-3-methylphenyl)-N-methylbutanamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCNCC2)OC[C@@H]1O)NC(=O)C3=CC4=C(CCCC4)NC3=O

DOS

IR

Vibrations