Geometry & MOs

Info

ID:	32364
PubChem CID:	6436726
Reduced:	NO12C37H45 (1)
Stoich.:	AB12C37D45 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-446.46
Dipole, Da:	5.19
IP(EA), eV:	-9.46(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,8E)-1,5,9-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene

Drug info:

Smile

C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)/C

DOS

IR

Vibrations