Geometry & MOs

Info

ID:	403300
PubChem CID:	135059615
Reduced:	F3O3N7H20C24 (1)
Stoich.:	A3B3C7D20E24 (1)
Weight, g/mol:	265.10791
ΔH_f, kcal/mol:	-58.74
Dipole, Da:	4.7
IP(EA), eV:	-9.32(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-diethoxyphosphoryl-6-ethoxy-5,6-dihydro-4H-oxazine

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=C(C=NN(C2=O)C3=CC=C(C=C3)C(F)(F)F)N4C=C(N=N4)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations