Geometry & MOs

Info

ID:	250734
PubChem CID:	103098699
Reduced:	BrN6C9H13 (1)
Stoich.:	AB6C9D13 (1)
Weight, g/mol:	230.01671
ΔH_f, kcal/mol:	63.1
Dipole, Da:	4.97
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(2-cyclopropylethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations