Geometry & MOs

Info

ID:	289647
PubChem CID:	104363218
Reduced:	ClN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	311.08848
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	3.94
IP(EA), eV:	-8.63(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-propylbutan-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1)C(CC2=CC(=CC3=C2OCC3)Cl)O

DOS

IR

Vibrations