Geometry & MOs

Info

ID:	263776
PubChem CID:	103397186
Reduced:	FNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	273.116507
ΔH_f, kcal/mol:	-79.65
Dipole, Da:	5.42
IP(EA), eV:	-9.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylamino)phenyl]-(2-fluoro-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C2(CC2)CN)F

DOS

IR

Vibrations