Geometry & MOs

Info

ID:	389475
PubChem CID:	134993177
Reduced:	PC5O7H9 (1)
Stoich.:	AB5C7D9 (1)
Weight, g/mol:	138.06808
ΔH_f, kcal/mol:	-263.19
Dipole, Da:	4.99
IP(EA), eV:	-10.22(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R)-4-methyl-6,7-dioxabicyclo[3.2.2]nona-2,8-diene

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O

DOS

IR

Vibrations