Geometry & MOs

Info

ID:	374945
PubChem CID:	131407634
Reduced:	FNOSC10H10 (1)
Stoich.:	ABCDE10F10 (1)
Weight, g/mol:	240.055322
ΔH_f, kcal/mol:	-53.6
Dipole, Da:	2.55
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-chloro-2-oxopropyl)-3-ethoxybenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=CS2)F)C(CN)O

DOS

IR

Vibrations