Geometry & MOs

Info

ID:	371718
PubChem CID:	131270992
Reduced:	BrClNO2F3H4C8 (1)
Stoich.:	ABCD2E3F4G8 (1)
Weight, g/mol:	240.041403
ΔH_f, kcal/mol:	-155.4
Dipole, Da:	3.64
IP(EA), eV:	-10.7(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[5-(3-chloropyridin-4-yl)-1,3,4-oxadiazol-2-yl]ethanol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])CBr)Cl)C(F)(F)F

DOS

IR

Vibrations