Geometry & MOs

Info

ID:	248074
PubChem CID:	103078701
Reduced:	BrClN4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	222.093918
ΔH_f, kcal/mol:	69.59
Dipole, Da:	6.26
IP(EA), eV:	-8.11(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-N-[(3-methylthiophen-2-yl)methyl]pyrazole-3,4-diamine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=CC(=C(C=C2)Cl)Br)N

DOS

IR

Vibrations