Geometry & MOs

Info

ID:	225266
PubChem CID:	85753014
Reduced:	ClOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	205.930427
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	6.38
IP(EA), eV:	-9.19(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,4-trichloro-2-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1CC(=C(C(=O)C1)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations