Geometry & MOs

Info

ID:	288092
PubChem CID:	104310794
Reduced:	BrON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	320.00212
ΔH_f, kcal/mol:	46.19
Dipole, Da:	3.22
IP(EA), eV:	-9.36(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

Drug info:

PubChemData

Smile

CCCC(C1=NC(=NO1)C2=C(C=CC=N2)Br)N

DOS

IR

Vibrations