Geometry & MOs

Info

ID:	248089
PubChem CID:	103078848
Reduced:	ON4C8H16 (1)
Stoich.:	AB4C8D16 (1)
Weight, g/mol:	313.99339
ΔH_f, kcal/mol:	-9.42
Dipole, Da:	3.33
IP(EA), eV:	-8.11(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2-bromo-5-chloro-4-methylphenyl)-1-methylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CC(CO)N(C)C1=NN(C=C1N)C

DOS

IR

Vibrations