Geometry & MOs

Info

ID:	151940
PubChem CID:	56310773
Reduced:	SO3N4C26H28 (1)
Stoich.:	AB3C4D26E28 (1)
Weight, g/mol:	460.211055
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	4.0
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CS5

DOS

IR

Vibrations