Geometry & MOs

Info

ID:	83884
PubChem CID:	49862194
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	400.187481
ΔH_f, kcal/mol:	51.51
Dipole, Da:	2.23
IP(EA), eV:	-8.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyl-1-phenylpyrazol-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations