Geometry & MOs

Info

ID:	288378
PubChem CID:	104315924
Reduced:	BrO2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	337.04259
ΔH_f, kcal/mol:	22.97
Dipole, Da:	1.01
IP(EA), eV:	-10.12(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CC(=O)CC1=NC(=NO1)C2=NC=C(C=C2)Br

DOS

IR

Vibrations