Geometry & MOs

Info

ID:	286870
PubChem CID:	104223311
Reduced:	F2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	282.056446
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	4.55
IP(EA), eV:	-9.51(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluoro-4-nitrophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)OC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations