Geometry & MOs

Info

ID:	158930
PubChem CID:	57244222
Reduced:	NO3H18C20 (2)
Stoich.:	AB3C18D20 (2)
Weight, g/mol:	329.32938
ΔH_f, kcal/mol:	-116.73
Dipole, Da:	4.77
IP(EA), eV:	-8.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxyethylamino)octadecan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCOC2=CC=CC3=CC=CC=C32)(N)OC(=O)C(=O)OC(CCOC4=CC=CC5=CC=CC=C54)(C6=CC=CC=C6)N

DOS

IR

Vibrations