Geometry & MOs

Info

ID:	295548
PubChem CID:	117533673
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-11.8
Dipole, Da:	1.45
IP(EA), eV:	-8.77(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopentyl-1-bicyclo[2.2.2]octanyl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C23CCC(CC2)(CC3)NC

DOS

IR

Vibrations