Geometry & MOs

Info

ID:	175107
PubChem CID:	75856385
Reduced:	ON6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	448.084141
ΔH_f, kcal/mol:	69.22
Dipole, Da:	8.02
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxo-1H-phthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2C=N1)NCCCN(C)CC3=CC=CC=C3

DOS

IR

Vibrations