Geometry & MOs

Info

ID:	420832
PubChem CID:	135114903
Reduced:	N5O5C21H29 (1)
Stoich.:	A5B5C21D29 (1)
Weight, g/mol:	392.18667
ΔH_f, kcal/mol:	-115.5
Dipole, Da:	6.5
IP(EA), eV:	-9.11(-0.48)
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-(4-chloro-3,5-dimethylphenoxy)-N,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CC3(CCN(CC3)CC4=CC=C(O4)C(=O)N(C)C)OCCC2=O

DOS

IR

Vibrations