Geometry & MOs

Info

ID:	250720
PubChem CID:	103098565
Reduced:	BrN5H8C10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	317.99953
ΔH_f, kcal/mol:	104.89
Dipole, Da:	3.82
IP(EA), eV:	-9.15(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations