Geometry & MOs

Info

ID:	319781
PubChem CID:	126657280
Reduced:	NO2C17H33 (1)
Stoich.:	AB2C17D33 (1)
Weight, g/mol:	284.27153
ΔH_f, kcal/mol:	-153.76
Dipole, Da:	6.33
IP(EA), eV:	-10.14(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hexyl-2,2-dimethyldecanoic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)CC1CNC(=O)O1

DOS

IR

Vibrations