Geometry & MOs

Info

ID:	373810
PubChem CID:	131320249
Reduced:	NO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	200.030729
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	3.64
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-methoxy-2-methylsulfanylbenzaldehyde

Drug info:

PubChemData

Smile

C1CCC(=O)N2C=C(C=C2C1)O

DOS

IR

Vibrations