Geometry & MOs

Info

ID:	127791
PubChem CID:	51015384
Reduced:	O5C26H42 (1)
Stoich.:	A5B26C42 (1)
Weight, g/mol:	287.090606
ΔH_f, kcal/mol:	-296.51
Dipole, Da:	5.2
IP(EA), eV:	-10.33(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S,10R,11R)-10,11-dihydroxy-4-phenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)O)C1CCC2[C@@]1(CCC3C2C(CC4[C@@]3(CC[C@H](C4)O)C)OC(=O)C)C

DOS

IR

Vibrations