Geometry & MOs

Info

ID:	57266
PubChem CID:	22395561
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	252.120903
ΔH_f, kcal/mol:	-124.29
Dipole, Da:	6.32
IP(EA), eV:	-9.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(hydroxymethyl)-1,3,5,8-tetraoxecan-2-yl]propane-1,3-diol

Drug info:

PubChemData

Smile

CC(N1CCCC1=O)OC(=O)C=C

DOS

IR

Vibrations