Geometry & MOs

Info

ID:	19620
PubChem CID:	569185
Reduced:	O3C8H9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	306.110338
ΔH_f, kcal/mol:	-217.68
Dipole, Da:	3.68
IP(EA), eV:	-10.19(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl) benzoate

Drug info:

PubChemData

Smile

CC1(OC2C(O1)C3OCC(C2OC(=O)C4=CC=CC=C4)O3)C

DOS

IR

Vibrations