Geometry & MOs

Info

ID:	153150
PubChem CID:	56312297
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	476.188212
ΔH_f, kcal/mol:	-96.89
Dipole, Da:	4.23
IP(EA), eV:	-8.9(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[3-(furan-2-yl)-5-thiophen-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)NCC3CCCCC3

DOS

IR

Vibrations