Geometry & MOs

Info

ID:	60982
PubChem CID:	26703876
Reduced:	FO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	350.99063
ΔH_f, kcal/mol:	-22.58
Dipole, Da:	4.02
IP(EA), eV:	-8.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetamidophenyl) 4-bromo-2-fluorobenzoate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations