Geometry & MOs

Info

ID:	254589
PubChem CID:	103126343
Reduced:	ClN3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	188.106196
ΔH_f, kcal/mol:	73.36
Dipole, Da:	5.38
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrazolo[1,5-a]pyrazin-3-ylbut-3-en-1-amine

Drug info:

PubChemData

Smile

CNC(C1=CC(=CC=C1)Cl)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations