Geometry & MOs

Info

ID:	227611
PubChem CID:	87562085
Reduced:	N4O4H24C25 (1)
Stoich.:	A4B4C24D25 (1)
Weight, g/mol:	320.04234
ΔH_f, kcal/mol:	12.02
Dipole, Da:	4.68
IP(EA), eV:	-8.95(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluorobenzaldehyde;1,1-diethoxyethane

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1)C(=O)NO)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)CN4CCOCC4

DOS

IR

Vibrations