Geometry & MOs

Info

ID:	145332
PubChem CID:	53502003
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	345.196489
ΔH_f, kcal/mol:	-23.07
Dipole, Da:	3.35
IP(EA), eV:	-8.72(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)NCCN3CCCCC3

DOS

IR

Vibrations