Geometry & MOs

Info

ID:

158935

PubChem CID:

57244236

Reduced:

NPO2C9H13 (1)

Stoich.:

ABC2D9E13 (1)

Weight, g/mol:

722.751597

ΔHf, kcal/mol:

-81.39

Dipole, Da:

4.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758808

Charge, e:

 0

Chem-info

IUPAC name:

17-tridecylpentatriacontane-16,17,18-triol

Drug info:

PubChemData

Smile

CCO[P+](=O)CC1=CC=C(C=C1)N

DOS

IR

Vibrations