Geometry & MOs

Info

ID:	347941
PubChem CID:	127273003
Reduced:	SO3N6C17H30 (1)
Stoich.:	AB3C6D17E30 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	7.33
IP(EA), eV:	-8.71(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C)C

DOS

IR

Vibrations