Geometry & MOs

Info

ID:	158340
PubChem CID:	56463441
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	405.11642
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	5.3
IP(EA), eV:	-8.21(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-methyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)NC(=O)NC4CC4

DOS

IR

Vibrations