Geometry & MOs

Info

ID:	160982
PubChem CID:	57390431
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	68.81
Dipole, Da:	8.58
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C3=NC4=C(O3)C=C(C=N4)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations