Geometry & MOs

Info

ID:	67922
PubChem CID:	46507434
Reduced:	SO2N5C25H25 (1)
Stoich.:	AB2C5D25E25 (1)
Weight, g/mol:	451.25834
ΔH_f, kcal/mol:	46.4
Dipole, Da:	5.41
IP(EA), eV:	-8.61(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=CC=CC=C4N5C3=NN=C5C(C)C

DOS

IR

Vibrations