Geometry & MOs

Info

ID:	360427
PubChem CID:	127301072
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-46.81
Dipole, Da:	6.72
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4CC4

DOS

IR

Vibrations