Geometry & MOs

Info

ID:	324840
PubChem CID:	126678453
Reduced:	N2F3O5C23H37 (1)
Stoich.:	A2B3C5D23E37 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-419.06
Dipole, Da:	7.47
IP(EA), eV:	-9.74(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9E)-4-hydroxy-7,11-dimethyl-1-oxacyclododec-9-en-2-one

Drug info:

PubChemData

Smile

C[C@@H](C1[C@H]2CC(CCN(C2)C(=O)OC(C)(C)C)CN1C(=O)CC(F)(F)F)OC(=O)C(C)(C)C

DOS

IR

Vibrations