Geometry & MOs

Info

ID:	221512
PubChem CID:	85273801
Reduced:	O7C15H20 (1)
Stoich.:	A7B15C20 (1)
Weight, g/mol:	312.132136
ΔH_f, kcal/mol:	-260.63
Dipole, Da:	3.23
IP(EA), eV:	-9.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=O)C1CC2C(=CC1(C(=O)C2(OC)OC)OC)C(=O)OC

DOS

IR

Vibrations