Geometry & MOs

Info

ID:	291597
PubChem CID:	113446360
Reduced:	SN4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	53.96
Dipole, Da:	3.58
IP(EA), eV:	-8.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-but-3-ynylpyrazolo[1,5-a]pyrazin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=NN2C=CN=C(C2=C1)NCCSC

DOS

IR

Vibrations