Geometry & MOs

Info

ID:	280505
PubChem CID:	103849641
Reduced:	NO5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	286.07537
ΔH_f, kcal/mol:	-166.28
Dipole, Da:	4.4
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[(3-methyl-2-nitrophenoxy)methyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)(C(=O)O)N(C2CC2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations