Geometry & MOs

Info

ID:	54497
PubChem CID:	17388778
Reduced:	FN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	464.209993
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	3.49
IP(EA), eV:	-9.21(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-4-[4-[(4-ethylphenyl)carbamoyl]phenoxy]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCCNC(=O)CC#N)F

DOS

IR

Vibrations