Geometry & MOs

Info

ID:	289669
PubChem CID:	104365124
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	18.68
Dipole, Da:	4.49
IP(EA), eV:	-9.0(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-methylimidazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CC=NN1CC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations