Geometry & MOs

Info

ID:	221932
PubChem CID:	85292839
Reduced:	O2C27H40 (1)
Stoich.:	A2B27C40 (1)
Weight, g/mol:	398.314458
ΔH_f, kcal/mol:	-117.23
Dipole, Da:	1.66
IP(EA), eV:	-8.78(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,2,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)butyl]decanamide

Drug info:

PubChemData

Smile

CCCCCCC1(CCCC1)C2=CC(=C(C(=C2)O)C3C=C(CCC3C(=C)C)C)O

DOS

IR

Vibrations