Geometry & MOs

Info

ID:	57275
PubChem CID:	22395576
Reduced:	ClN2C7H20 (1)
Stoich.:	AB2C7D20 (1)
Weight, g/mol:	175.060648
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	1.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755520
Charge, e:	-1

Chem-info

IUPAC name:

3-hydroxy-4-oxo-4-propan-2-yloxybutanoate

Drug info:

PubChemData

Smile

CCN(CC)C(C)[NH3+].CCl

DOS

IR

Vibrations