Geometry & MOs

Info

ID:	227530
PubChem CID:	87561935
Reduced:	O5C9H18 (1)
Stoich.:	A5B9C18 (1)
Weight, g/mol:	162.122498
ΔH_f, kcal/mol:	-248.28
Dipole, Da:	3.42
IP(EA), eV:	-10.3(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3,3-dideuterio-4-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)O.C(CCO)CO

DOS

IR

Vibrations