Geometry & MOs

Info

ID:	141658
PubChem CID:	52909704
Reduced:	NOH9C10 (3)
Stoich.:	ABC9D10 (3)
Weight, g/mol:	476.197417
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	8.88
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(3R)-3-(2-methylphenyl)-5-(2-methyl-4-phenylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2CC(=NN2C(=O)CCC(=O)O)C3=C(C4=CC=CC=C4N=C3C)C5=CC=CC=C5

DOS

IR

Vibrations