Geometry & MOs

Info

ID:	161913
PubChem CID:	57393044
Reduced:	ON2C17H33 (1)
Stoich.:	AB2C17D33 (1)
Weight, g/mol:	243.050789
ΔH_f, kcal/mol:	-54.66
Dipole, Da:	4.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774773
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-(2-hydroxyacetyl)amino]butyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=C[N+]#N)O

DOS

IR

Vibrations