Geometry & MOs

Info

ID:	289606
PubChem CID:	104360106
Reduced:	ClNOBr2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	412.9449
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	5.19
IP(EA), eV:	-8.64(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methoxyaniline

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CNC3=C(C=CC(=C3)Br)Br)Cl

DOS

IR

Vibrations