Geometry & MOs

Info

ID:	290447
PubChem CID:	104541952
Reduced:	BrO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-132.3
Dipole, Da:	7.14
IP(EA), eV:	-8.75(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylpyridin-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CCC(C1)(CCC2=CC(=CC3=C2OCC3)Br)CC(=O)O

DOS

IR

Vibrations