Geometry & MOs

Info

ID:	211220
PubChem CID:	80912136
Reduced:	BrN8H11C12 (1)
Stoich.:	AB8C11D12 (1)
Weight, g/mol:	347.02425
ΔH_f, kcal/mol:	141.18
Dipole, Da:	2.01
IP(EA), eV:	-9.31(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=NC(=N2)N3C=CN=C3)NN)Br

DOS

IR

Vibrations