Geometry & MOs

Info

ID:	67022
PubChem CID:	46505716
Reduced:	BrFO2H14C18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	380.198759
ΔH_f, kcal/mol:	-67.11
Dipole, Da:	4.3
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations