Geometry & MOs

Info

ID:	158716
PubChem CID:	56465188
Reduced:	ON5C24H37 (1)
Stoich.:	AB5C24D37 (1)
Weight, g/mol:	495.263425
ΔH_f, kcal/mol:	-15.28
Dipole, Da:	5.71
IP(EA), eV:	-8.16(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)NC(CN2CCN(CC2)C)C3=CC=CC=C3

DOS

IR

Vibrations