Geometry & MOs

Info

ID:	261039
PubChem CID:	103215362
Reduced:	BrNO2F3C8H9 (1)
Stoich.:	ABC2D3E8F9 (1)
Weight, g/mol:	452.8992
ΔH_f, kcal/mol:	-206.15
Dipole, Da:	4.65
IP(EA), eV:	-9.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromofuran-2-yl)-(3-chloro-4-iodophenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=COC(=C1Br)C(COCC(F)(F)F)N

DOS

IR

Vibrations