Geometry & MOs

Info

ID:	413966
PubChem CID:	135086918
Reduced:	ISH9C10 (1)
Stoich.:	ABC9D10 (1)
Weight, g/mol:	268.094688
ΔH_f, kcal/mol:	84.83
Dipole, Da:	3.77
IP(EA), eV:	-8.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,2-bis(4-hydroxybut-2-ynyl)propanedioate

Drug info:

PubChemData

Smile

CC#CSCC1=CC=C(C=C1)I

DOS

IR

Vibrations