Geometry & MOs

Info

ID:	248112
PubChem CID:	103079003
Reduced:	BrN5C7H8 (1)
Stoich.:	AB5C7D8 (1)
Weight, g/mol:	225.078123
ΔH_f, kcal/mol:	98.14
Dipole, Da:	5.39
IP(EA), eV:	-8.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)N2C=C(C=N2)Br)N

DOS

IR

Vibrations