Geometry & MOs

Info

ID:	300489
PubChem CID:	121340683
Reduced:	SN4H38C65 (1)
Stoich.:	AB4C38D65 (1)
Weight, g/mol:	240.076199
ΔH_f, kcal/mol:	315.49
Dipole, Da:	3.4
IP(EA), eV:	-8.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-1,2,8-trifluoro-7-methylnaphthalene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C5C(=C4)C6=CC=CC=C6C7=C5C=C(C=C7)C8=CC9=C(C=C8)SC1=CC=CC=C19)C1=CC(=NC(=C1)C1=CC=CC2=C1N=CC=C2)C1=CC=CC2=C1N=CC=C2

DOS

IR

Vibrations