Geometry & MOs

Info

ID:	276075
PubChem CID:	103820405
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	252.09102
ΔH_f, kcal/mol:	-12.62
Dipole, Da:	3.09
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-fluorophenyl)-2-(2-methoxyethoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1C(=O)NC2=C(N=CC=C2)Br

DOS

IR

Vibrations