Geometry & MOs

Info

ID:	415876
PubChem CID:	135088878
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	386.256943
ΔH_f, kcal/mol:	-128.84
Dipole, Da:	6.56
IP(EA), eV:	-9.05(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]-N,2-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

Drug info:

PubChemData

Smile

CCOC(C)(C)C(=O)N1C[C@H]([C@@H](C1)O)CC2=NNC(=C2)C

DOS

IR

Vibrations