Geometry & MOs

Info

ID:	169343
PubChem CID:	75090200
Reduced:	O3C9H14 (2)
Stoich.:	A3B9C14 (2)
Weight, g/mol:	416.267508
ΔH_f, kcal/mol:	-225.74
Dipole, Da:	4.42
IP(EA), eV:	-8.68(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis[benzyl(1-hydroxypropan-2-yl)amino]butane-2,3-diol

Drug info:

PubChemData

Smile

COCOC(CC=C)C(COCC1=CC=C(C=C1)OC)OCOC

DOS

IR

Vibrations