Geometry & MOs

Info

ID:	312015
PubChem CID:	126601009
Reduced:	ON2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	294.25588
ΔH_f, kcal/mol:	24.27
Dipole, Da:	4.37
IP(EA), eV:	-8.51(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)hexanoic acid

Drug info:

PubChemData

Smile

CC1=NOCC(N1C)C2=CC=CC=C2

DOS

IR

Vibrations