Geometry & MOs

Info

ID:	423106
PubChem CID:	135118950
Reduced:	N3C20H29 (1)
Stoich.:	A3B20C29 (1)
Weight, g/mol:	370.085098
ΔH_f, kcal/mol:	25.29
Dipole, Da:	2.93
IP(EA), eV:	-8.32(0.18)
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]-2-(3,4-dichlorophenoxy)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)CC3=C4C=CNC4=CC=C3

DOS

IR

Vibrations