Geometry & MOs

Info

ID:	45548
PubChem CID:	10514780
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	-84.08
Dipole, Da:	2.05
IP(EA), eV:	-9.22(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR)-4-methyl-2-octyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H](NC2(C)C)C3=CC=CO3

DOS

IR

Vibrations