Geometry & MOs

Info

ID:	262525
PubChem CID:	103298269
Reduced:	FNO5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	263.05132
ΔH_f, kcal/mol:	-169.17
Dipole, Da:	7.35
IP(EA), eV:	-10.11(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-fluoro-3-methylphenyl)-(4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OC(C)COC)[N+](=O)[O-]

DOS

IR

Vibrations