Geometry & MOs

Info

ID:	18098
PubChem CID:	538165
Reduced:	O6C19H26 (1)
Stoich.:	A6B19C26 (1)
Weight, g/mol:	350.172939
ΔH_f, kcal/mol:	-273.93
Dipole, Da:	4.58
IP(EA), eV:	-9.74(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-acetyloxy-3,6,7-trimethyl-12,13-dioxatetracyclo[8.2.1.01,6.07,11]tridec-2-en-11-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1=CC23C(CC1)(C4(CC(C(C4(O2)COC(=O)C)O3)OC(=O)C)C)C

DOS

IR

Vibrations