Geometry & MOs

Info

ID:	228130
PubChem CID:	87563501
Reduced:	O4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	244.167459
ΔH_f, kcal/mol:	-220.04
Dipole, Da:	5.76
IP(EA), eV:	-10.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-pentan-2-yloxycarbonylhexanoic acid

Drug info:

PubChemData

Smile

CCCC(C)C(C(C)CCC)(C(=O)O)C(=O)O

DOS

IR

Vibrations