Geometry & MOs

Info

ID:	250712
PubChem CID:	103098528
Reduced:	BrClFN4H7C9 (1)
Stoich.:	ABCD4E7F9 (1)
Weight, g/mol:	300.0022
ΔH_f, kcal/mol:	17.35
Dipole, Da:	2.29
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations