Geometry & MOs

Info

ID:	169915
PubChem CID:	75166450
Reduced:	O3C11H14 (2)
Stoich.:	A3B11C14 (2)
Weight, g/mol:	430.199153
ΔH_f, kcal/mol:	-270.05
Dipole, Da:	7.63
IP(EA), eV:	-10.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetyloxy-5-hydroxy-2,6,7-trimethyl-10-oxo-9-oxatricyclo[6.3.1.01,5]dodecan-6-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC1CC(C2(C13CC(C(C2(C)COC(=O)C4=CC=CC=C4)C)OC(=O)C3)O)O

DOS

IR

Vibrations