Geometry & MOs

Info

ID:	209854
PubChem CID:	80731422
Reduced:	BrON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	2.9
Dipole, Da:	2.74
IP(EA), eV:	-8.24(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)C2=CC(=CC(=C2)N)OC

DOS

IR

Vibrations