Geometry & MOs

Info

ID:	53873
PubChem CID:	14718218
Reduced:	NO3C8H9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	417.381809
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	3.41
IP(EA), eV:	-9.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,2-dihydroxypropyl(octadecyl)amino]propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=NC=C2C(OCC2=C1O)O

DOS

IR

Vibrations