Geometry & MOs

Info

ID:	67101
PubChem CID:	46505876
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	300.096186
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	4.23
IP(EA), eV:	-8.87(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/2\CCC(C2=O)C3CCCC3

DOS

IR

Vibrations