Geometry & MOs

Info

ID:	18230
PubChem CID:	538988
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	9.49
Dipole, Da:	3.77
IP(EA), eV:	-8.86(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-phenyl-4-(thiophene-2-carbonyl)-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CC(C(=N1)C2=CC=CC=C2)C(=O)C3=CC=CS3

DOS

IR

Vibrations