Geometry & MOs

Info

ID:	149772
PubChem CID:	53789448
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	211.96842
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	2.22
IP(EA), eV:	-8.87(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromoethyl 2,3-dihydroxypropanoate

Drug info:

PubChemData

Smile

COC(=O)CCC1=CC=CC=C1OCCCCC#C

DOS

IR

Vibrations