Geometry & MOs

Info

ID:	318288
PubChem CID:	126650352
Reduced:	SO3F4N4H18C25 (1)
Stoich.:	AB3C4D4E18F25 (1)
Weight, g/mol:	256.132411
ΔH_f, kcal/mol:	-190.79
Dipole, Da:	7.57
IP(EA), eV:	-9.49(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-5H-pyrimido[4,5-b][1,4]benzoxazin-2-amine

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)C4=CN=C(C=C4)F)C=CC(=C2)S(=O)(=O)NC5=NN=CC=C5

DOS

IR

Vibrations