Geometry & MOs

Info

ID:	250715
PubChem CID:	103098538
Reduced:	BrON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	287.98222
ΔH_f, kcal/mol:	34.81
Dipole, Da:	2.56
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCN2C(=NC(=N2)N)Br

DOS

IR

Vibrations