Geometry & MOs

Info

ID:	246323
PubChem CID:	103059204
Reduced:	BrFON3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	316.137612
ΔH_f, kcal/mol:	-13.15
Dipole, Da:	4.91
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-propyloxan-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=CN=C(C=N2)N)F)Br

DOS

IR

Vibrations