Geometry & MOs

Info

ID:	18372
PubChem CID:	540000
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	266.188195
ΔH_f, kcal/mol:	-101.18
Dipole, Da:	3.27
IP(EA), eV:	-8.73(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.3.1.04,13.08,13]hexadecane

Drug info:

PubChemData

Smile

CC1CCC2C(COC3C24C1CCC(C3)(OO4)C)C

DOS

IR

Vibrations