Geometry & MOs

Info

ID:	67021
PubChem CID:	46505715
Reduced:	ClO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	360.01612
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	4.48
IP(EA), eV:	-9.28(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations