Geometry & MOs

Info

ID:	146749
PubChem CID:	53743322
Reduced:	O3N4C8H8 (1)
Stoich.:	A3B4C8D8 (1)
Weight, g/mol:	282.25588
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	5.74
IP(EA), eV:	-8.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octyl-3-oxodecanal

Drug info:

PubChemData

Smile

C1=C(NC=N1)C(=O)CC2=C(NC(=O)N2)O

DOS

IR

Vibrations