Geometry & MOs

Info

ID:	291558
PubChem CID:	113443014
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	243.105942
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	6.28
IP(EA), eV:	-8.99(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

Drug info:

PubChemData

Smile

CC(CC(=O)O)NCC1=CC(=CC2=C1OCC2)Br

DOS

IR

Vibrations