Geometry & MOs

Info

ID:	11231
PubChem CID:	112141
Reduced:	NO7C22H37 (1)
Stoich.:	AB7C22D37 (1)
Weight, g/mol:	427.257003
ΔH_f, kcal/mol:	-361.26
Dipole, Da:	7.77
IP(EA), eV:	-8.78(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(6-aminohexanoyloxymethyl)-2-(hydroxymethyl)butoxy]carbonyl-6-methylbicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CO)(COC(=O)CCCCCN)COC(=O)C1C2CC(C(C2)C1C(=O)O)C

DOS

IR

Vibrations