Geometry & MOs

Info

ID:	289619
PubChem CID:	104360641
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	295.133907
ΔH_f, kcal/mol:	29.06
Dipole, Da:	3.56
IP(EA), eV:	-8.73(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CNCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations