Geometry & MOs

Info

ID:	246385
PubChem CID:	103059466
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	280.195092
ΔH_f, kcal/mol:	-3.07
Dipole, Da:	4.11
IP(EA), eV:	-8.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluoro-N-methylanilino)methyl]-N-propyloxan-4-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OCC2=CN=C(C=N2)N)Br

DOS

IR

Vibrations