Geometry & MOs

Info

ID:	399686
PubChem CID:	135041753
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	223.137242
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	3.69
IP(EA), eV:	-9.3(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6-fluoropyridin-3-yl)octanal

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=CC=CC=C2C1=C)C(=O)C

DOS

IR

Vibrations