Geometry & MOs

Info

ID:	406801
PubChem CID:	135078669
Reduced:	ClN2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	251.076871
ΔH_f, kcal/mol:	53.67
Dipole, Da:	8.34
IP(EA), eV:	-8.7(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-benzylidene-4-phenyl-5H-1,3-thiazole

Drug info:

PubChemData

Smile

CCC/C(=C(\C#N)/C1=CC=C(C=C1)Cl)/NC2=CC=C(C=C2)C

DOS

IR

Vibrations