Geometry & MOs

Info

ID:	374286
PubChem CID:	131326199
Reduced:	BrN2O2F3H6C7 (1)
Stoich.:	AB2C2D3E6F7 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-217.11
Dipole, Da:	2.27
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-5-propylfuran-3-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1N)OC(F)(F)F)O)CBr

DOS

IR

Vibrations