Geometry & MOs

Info

ID:	139922
PubChem CID:	52617932
Reduced:	BrFNO2H15C19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	331.105587
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	3.25
IP(EA), eV:	-9.02(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[3-(4-nitrophenoxy)propoxy]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNC(=O)COC2=CC3=C(C=C2)C=C(C=C3)Br

DOS

IR

Vibrations