Geometry & MOs

Info

ID:	407231
PubChem CID:	135079623
Reduced:	NO3F6H17C21 (1)
Stoich.:	AB3C6D17E21 (1)
Weight, g/mol:	254.069142
ΔH_f, kcal/mol:	-420.09
Dipole, Da:	3.4
IP(EA), eV:	-9.49(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzylidene-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations