Geometry & MOs

Info

ID:	18718
PubChem CID:	546990
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-110.78
Dipole, Da:	1.82
IP(EA), eV:	-9.7(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-oxohexanal

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations