Geometry & MOs

Info

ID:	35356
PubChem CID:	7979748
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	339.030978
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	3.36
IP(EA), eV:	-8.38(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)O

DOS

IR

Vibrations