Geometry & MOs

Info

ID:	261073
PubChem CID:	103216314
Reduced:	BrO2F3N3C11H17 (1)
Stoich.:	AB2C3D3E11F17 (1)
Weight, g/mol:	396.97304
ΔH_f, kcal/mol:	-199.83
Dipole, Da:	2.45
IP(EA), eV:	-9.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-2-yl)-1-(3-chloro-4-iodophenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CNC(COCC(F)(F)F)C1=C(C=NN1CCOC)Br

DOS

IR

Vibrations