Geometry & MOs

Info

ID:	385675
PubChem CID:	134979702
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	3.02
IP(EA), eV:	-8.85(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(3aS,6aR,7R,9aR)-6-oxo-1,2,3,3a,4,5,6a,7,8,9-decahydrocyclopenta[d]inden-7-yl]hexanoate

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=CCCCOC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations