Geometry & MOs

Info

ID:	151939
PubChem CID:	56310772
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	476.188212
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	4.65
IP(EA), eV:	-9.25(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[5-(furan-2-yl)-3-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)CC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

DOS

IR

Vibrations