Geometry & MOs

Info

ID:	202654
PubChem CID:	79706172
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	341.94585
ΔH_f, kcal/mol:	-47.75
Dipole, Da:	3.25
IP(EA), eV:	-9.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorobenzaldehyde

Drug info:

PubChemData

Smile

CCC(C)OCC1=CC(=CC(=C1)F)C#CCN

DOS

IR

Vibrations