Geometry & MOs

Info

ID:	220818
PubChem CID:	85240102
Reduced:	ClNO2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	274.178024
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	2.36
IP(EA), eV:	-9.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-2-[5-(2-hydroxyethyl)-4-methyloxolan-2-yl]ethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C4Cl

DOS

IR

Vibrations