Geometry & MOs

Info

ID:	18651
PubChem CID:	545285
Reduced:	OC13H26 (1)
Stoich.:	AB13C26 (1)
Weight, g/mol:	198.198365
ΔH_f, kcal/mol:	-87.8
Dipole, Da:	3.63
IP(EA), eV:	-9.85(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,5-triethylheptanal

Drug info:

PubChemData

Smile

CCC(CC=O)CC(CC)(CC)CC

DOS

IR

Vibrations