Geometry & MOs

Info

ID:	122157
PubChem CID:	50796194
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	441.252861
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	3.79
IP(EA), eV:	-8.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C(=C1CCC(=O)N3CCCC3)C)C(=NN2C4=CC=CC=C4)C

DOS

IR

Vibrations