Geometry & MOs

Info

ID:	385057
PubChem CID:	134978225
Reduced:	Br2P3N5C11O12H16 (1)
Stoich.:	A2B3C5D11E12F16 (1)
Weight, g/mol:	423.311361
ΔH_f, kcal/mol:	-636.35
Dipole, Da:	9.84
IP(EA), eV:	-9.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-octoxyoctyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O)O)(Br)Br)O)O

DOS

IR

Vibrations