Geometry & MOs

Info

ID:	393596
PubChem CID:	135021177
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	391.097521
ΔH_f, kcal/mol:	-89.76
Dipole, Da:	4.15
IP(EA), eV:	-8.38(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[2-(4-ethylphenyl)-2-oxoacetyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@@H](C3=CC=CC=C3NC2CCCCO)OC1

DOS

IR

Vibrations