Geometry & MOs

Info

ID:	172042
PubChem CID:	75458597
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	509.195071
ΔH_f, kcal/mol:	47.75
Dipole, Da:	7.55
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3E)-5-(2-methoxyphenyl)-3-[4-(4-methylphenyl)-2-oxoquinolin-3-ylidene]pyrazolidin-1-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(CCOC)CC1CCCN1C2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4

DOS

IR

Vibrations