Geometry & MOs

Info

ID:	288079
PubChem CID:	104310498
Reduced:	BrON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	334.01777
ΔH_f, kcal/mol:	38.93
Dipole, Da:	4.62
IP(EA), eV:	-9.53(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(5-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC(C)(CCC1=NC(=NO1)C2=NC=C(C=C2)Br)CCN

DOS

IR

Vibrations