Geometry & MOs

Info

ID:	67045
PubChem CID:	46505757
Reduced:	NOH8C10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	347.98196
ΔH_f, kcal/mol:	17.1
Dipole, Da:	3.61
IP(EA), eV:	-9.29(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(5-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=CC4=NC=CN=C4C=C3)/CC2

DOS

IR

Vibrations