Geometry & MOs

Info

ID:	179785
PubChem CID:	76532825
Reduced:	O6C19H38 (1)
Stoich.:	A6B19C38 (1)
Weight, g/mol:	569.263819
ΔH_f, kcal/mol:	-328.62
Dipole, Da:	0.43
IP(EA), eV:	-10.05(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4,7-dibenzyl-2,5,8,11-tetrazabicyclo[8.2.1]tridecane-3,6,9-trione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1C(OC(C(C1O)O)OC)CO

DOS

IR

Vibrations