Geometry & MOs

Info

ID:	253471
PubChem CID:	103118662
Reduced:	BrSO2N4C11H13 (1)
Stoich.:	ABC2D4E11F13 (1)
Weight, g/mol:	214.096694
ΔH_f, kcal/mol:	8.3
Dipole, Da:	4.59
IP(EA), eV:	-9.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CSC(=C2)Br)CCN

DOS

IR

Vibrations