Geometry & MOs

Info

ID:	289616
PubChem CID:	104360400
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	332.05243
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	2.29
IP(EA), eV:	-8.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridin-4-ylethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)(CNCC2=CC(=CC3=C2OCC3)Br)O

DOS

IR

Vibrations