Geometry & MOs

Info

ID:	211953
PubChem CID:	81058951
Reduced:	BrFON2C11H16 (1)
Stoich.:	ABCD2E11F16 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-68.04
Dipole, Da:	4.95
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=CC(=C(C=C1N)Br)F

DOS

IR

Vibrations