Geometry & MOs

Info

ID:	449963
PubChem CID:	135302850
Reduced:	PN5O7C30H54 (1)
Stoich.:	AB5C7D30E54 (1)
Weight, g/mol:	218.115424
ΔH_f, kcal/mol:	-282.12
Dipole, Da:	0.59
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-2-(3-oxopropoxy)propoxy]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(COCCN1C=NC2=C(N=CN=C21)N)OC)OO

DOS

IR

Vibrations