Geometry & MOs

Info

ID:	35962
PubChem CID:	7980561
Reduced:	N3O5H13C20 (1)
Stoich.:	A3B5C13D20 (1)
Weight, g/mol:	313.147807
ΔH_f, kcal/mol:	-1.9
Dipole, Da:	6.07
IP(EA), eV:	-9.56(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)-N-(4-fluoro-2-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations