Geometry & MOs

Info

ID:	262177
PubChem CID:	103275170
Reduced:	F2N2O2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	312.02735
ΔH_f, kcal/mol:	-122.7
Dipole, Da:	3.99
IP(EA), eV:	-9.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCC1=CN=C(O1)CNCC2=CC(=C(C(=C2)F)O)F

DOS

IR

Vibrations