Geometry & MOs

Info

ID:	319184
PubChem CID:	126655274
Reduced:	F2O3N6C26H28 (1)
Stoich.:	A2B3C6D26E28 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-128.14
Dipole, Da:	3.39
IP(EA), eV:	-8.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-3-yl)-4-methylpiperazine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)F)N4C=CC(=N4)N5CCN(CC5)C

DOS

IR

Vibrations