Geometry & MOs

Info

ID:	221399
PubChem CID:	85272479
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	241.056135
ΔH_f, kcal/mol:	21.52
Dipole, Da:	3.61
IP(EA), eV:	-9.05(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-thiazol-5-ylmethylidene)-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CC=CC1C(C(=O)N1CC#C)OC2=CC=CC=C2

DOS

IR

Vibrations