Geometry & MOs

Info

ID:	250744
PubChem CID:	103098747
Reduced:	BrN5H12C13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	332.90477
ΔH_f, kcal/mol:	89.86
Dipole, Da:	1.79
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)CN3C(=NC(=N3)N)Br

DOS

IR

Vibrations