Geometry & MOs

Info

ID:	145329
PubChem CID:	53500961
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	321.252861
ΔH_f, kcal/mol:	34.68
Dipole, Da:	6.68
IP(EA), eV:	-9.54(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=CC=C2)C(=O)NCCCN3C=NC=N3

DOS

IR

Vibrations