Geometry & MOs

Info

ID:	172682
PubChem CID:	75540944
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	470.141262
ΔH_f, kcal/mol:	28.87
Dipole, Da:	5.29
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-(pyridin-3-ylmethylidene)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)N2C=NC=N2)NC(=O)C=CC3=CC(=CC=C3)OC

DOS

IR

Vibrations