Geometry & MOs

Info

ID:	250722
PubChem CID:	103098582
Reduced:	BrON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	312.0022
ΔH_f, kcal/mol:	35.16
Dipole, Da:	2.95
IP(EA), eV:	-8.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)CN3C(=NC(=N3)N)Br

DOS

IR

Vibrations