Geometry & MOs

Info

ID:	289668
PubChem CID:	104365110
Reduced:	BrON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	11.35
Dipole, Da:	6.22
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrazol-3-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CN(N=C1C)CC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations