Geometry & MOs

Info

ID:	558
PubChem CID:	2992
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-91.91
Dipole, Da:	1.33
IP(EA), eV:	-10.22(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[3-(1-hydroxyethyl)oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CC(C1C(O1)C=CC2C(O2)C(C=C)O)O

DOS

IR

Vibrations