Geometry & MOs

Info

ID:	289657
PubChem CID:	104363781
Reduced:	BrNOC17H24 (1)
Stoich.:	ABCD17E24 (1)
Weight, g/mol:	336.05857
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	3.26
IP(EA), eV:	-8.55(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-1-(2H-triazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)CC1(CCCN1)CC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations