Geometry & MOs

Info

ID:	250726
PubChem CID:	103098599
Reduced:	BrFN4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	262.00654
ΔH_f, kcal/mol:	24.55
Dipole, Da:	2.67
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(3-amino-5-bromo-1,2,4-triazol-1-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations