Geometry & MOs

Info

ID:	262178
PubChem CID:	103275312
Reduced:	BrFON2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	288.074405
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	2.29
IP(EA), eV:	-9.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations