Geometry & MOs

Info

ID:	337777
PubChem CID:	127258400
Reduced:	NO4C16H29 (1)
Stoich.:	AB4C16D29 (1)
Weight, g/mol:	331.199488
ΔH_f, kcal/mol:	-200.39
Dipole, Da:	2.37
IP(EA), eV:	-8.77(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[2-[bis(2-hydroxyethyl)amino]ethyl] 4-O-[(E)-hex-2-enyl] butanedioate

Drug info:

PubChemData

Smile

CCC/C=C/COC(=O)CCC(=O)OCCN(CC)CC

DOS

IR

Vibrations