Geometry & MOs

Info

ID:	83883
PubChem CID:	49862186
Reduced:	OF3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-87.83
Dipole, Da:	12.4
IP(EA), eV:	-8.79(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN1C=NC2=C(N=C(C=C21)C3=CC(=C(C=C3)OCCCN(C)C)C(F)(F)F)C#N

DOS

IR

Vibrations