Geometry & MOs

Info

ID:	265191
PubChem CID:	103513080
Reduced:	ClN2O2H3C7 (1)
Stoich.:	AB2C2D3E7 (1)
Weight, g/mol:	188.033425
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	1.45
IP(EA), eV:	-10.26(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazolo[1,5-a]pyrazine-3-carbonyl isocyanate

Drug info:

PubChemData

Smile

C1=CN=CC(=C1C(=O)N=C=O)Cl

DOS

IR

Vibrations