Geometry & MOs

Info

ID:	435415
PubChem CID:	135191401
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	326.188195
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	2.62
IP(EA), eV:	-8.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E,8Z,10E)-2-acetyl-4-ethynyl-4,6,11,12,12-pentamethyl-1-oxacyclotrideca-2,6,8,10-tetraen-5-one

Drug info:

PubChemData

Smile

C/C/1=C\C=C/C=C(/C(CO/C(=C\C2(C1OC2)C#C)/C(=O)C)(C)C)\C

DOS

IR

Vibrations