Geometry & MOs

Info

ID:	314968
PubChem CID:	126624055
Reduced:	ClFO2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	312.266445
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	3.23
IP(EA), eV:	-9.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecanal;2-oxopropanal

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)C2=CC(=C(C=C2F)OCC3=CC=CC=C3)Cl

DOS

IR

Vibrations