Geometry & MOs

Info

ID:	176257
PubChem CID:	76019621
Reduced:	N2O8C37H64 (1)
Stoich.:	A2B8C37D64 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-437.65
Dipole, Da:	3.24
IP(EA), eV:	-9.32(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-hydroxy-8,12-dimethyl-2-oxatricyclo[7.3.1.05,13]tridec-8-en-3-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCNC(=O)C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCCCC2=CC=CC=C2

DOS

IR

Vibrations