Geometry & MOs

Info

ID:	378857
PubChem CID:	134224958
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	226.097011
ΔH_f, kcal/mol:	-163.64
Dipole, Da:	6.05
IP(EA), eV:	-10.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-propan-2-yloxybutan-2-yl) dihydrogen phosphate

Drug info:

PubChemData

Smile

CCC1(CC2CC(CC(C2)C1)C)C3CC(=O)OC3=O

DOS

IR

Vibrations