Geometry & MOs

Info

ID:	35321
PubChem CID:	7979685
Reduced:	ClN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	338.046963
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	12.29
IP(EA), eV:	-9.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(4-fluorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)C(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C

DOS

IR

Vibrations