Geometry & MOs

Info

ID:	122165
PubChem CID:	50796546
Reduced:	ON5C27H31 (1)
Stoich.:	AB5C27D31 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	71.36
Dipole, Da:	1.22
IP(EA), eV:	-8.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butoxyphenyl)-4-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)N4CCN(CC4)C5=CC=CC=C5C

DOS

IR

Vibrations