Geometry & MOs

Info

ID:	23126
PubChem CID:	602153
Reduced:	FN2O4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	304.085935
ΔH_f, kcal/mol:	-85.14
Dipole, Da:	5.81
IP(EA), eV:	-9.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-4-methoxy-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2F)[N+](=O)[O-]

DOS

IR

Vibrations