Geometry & MOs

Info

ID:	376694
PubChem CID:	134222717
Reduced:	FPN5O5C14H20 (1)
Stoich.:	ABC5D5E14F20 (1)
Weight, g/mol:	554.563796
ΔH_f, kcal/mol:	-224.65
Dipole, Da:	2.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762744
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hexadecoxy-3-methoxypropoxy)hexadecane

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)N(C)C)N=CN2[C@H]3[C@]([C@@H]([C@H](O3)CO[P+](=O)O)O)(C)F

DOS

IR

Vibrations