Geometry & MOs

Info

ID:	150822
PubChem CID:	53790518
Reduced:	PO4C36H39 (1)
Stoich.:	AB4C36D39 (1)
Weight, g/mol:	296.307916
ΔH_f, kcal/mol:	-167.06
Dipole, Da:	4.02
IP(EA), eV:	-8.97(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diethyl-2-(2-ethylhexyl)octanal

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)COP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)C(CCC5(C)C)(C)C

DOS

IR

Vibrations