Geometry & MOs

Info

ID:	425952
PubChem CID:	135133534
Reduced:	O3N7H19C22 (1)
Stoich.:	A3B7C19D22 (1)
Weight, g/mol:	321.17051
ΔH_f, kcal/mol:	49.13
Dipole, Da:	8.92
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[(E)-but-2-enoyl]-ethylamino]octyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CN1C2=C(C(C(=C(O2)N)C(=O)OC)C3=CC=C(C=C3)N4C=CN=C4)C(=N1)C5=NC=CN=C5

DOS

IR

Vibrations