Geometry & MOs

Info

ID:	144145
PubChem CID:	53320671
Reduced:	SN4C5H8 (2)
Stoich.:	AB4C5D8 (2)
Weight, g/mol:	246.104465
ΔH_f, kcal/mol:	104.84
Dipole, Da:	3.95
IP(EA), eV:	-8.44(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-phenylethynyl)-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

[3H]C([3H])([3H])NC(=NCCSCC1=CSC(=N1)N=C(N)N)NC#N

DOS

IR

Vibrations