Geometry & MOs

Info

ID:	32020
PubChem CID:	4253034
Reduced:	FN3H16C18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	452.150285
ΔH_f, kcal/mol:	30.88
Dipole, Da:	2.43
IP(EA), eV:	-9.04(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]oxy-N-(2-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NCC2=CC=CC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations