Geometry & MOs

Info

ID:	310398
PubChem CID:	126579789
Reduced:	F2N3O4H9C11 (1)
Stoich.:	A2B3C4D9E11 (1)
Weight, g/mol:	470.22418
ΔH_f, kcal/mol:	-76.36
Dipole, Da:	2.3
IP(EA), eV:	-9.54(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4,4-difluorocyclohexyl)-N-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])COC2=NN(C=C2)O)C(F)F

DOS

IR

Vibrations