Geometry & MOs

Info

ID:	67102
PubChem CID:	46505877
Reduced:	FOH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	347.98196
ΔH_f, kcal/mol:	-115.86
Dipole, Da:	4.98
IP(EA), eV:	-9.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(4-bromothiophen-2-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC(=C(C=C3)F)F)/CC2

DOS

IR

Vibrations