Geometry & MOs

Info

ID:	25866
PubChem CID:	632167
Reduced:	O7H18C19 (1)
Stoich.:	A7B18C19 (1)
Weight, g/mol:	433.282823
ΔH_f, kcal/mol:	-251.95
Dipole, Da:	8.0
IP(EA), eV:	-9.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-hydroxyimino-2,6,6,9,18-pentamethyl-5,7-dioxapentacyclo[11.7.0.02,10.04,8.014,18]icosan-3-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3)O)C(=O)OC)C)C)OC

DOS

IR

Vibrations