Geometry & MOs

Info

ID:	228559
PubChem CID:	87565294
Reduced:	NCl2O5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	224.125988
ΔH_f, kcal/mol:	-207.99
Dipole, Da:	3.31
IP(EA), eV:	-10.87(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethoxy)ethanol;methyl 4-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2C(C1=O)C2(C(=O)Cl)C(=O)Cl

DOS

IR

Vibrations