Geometry & MOs

Info

ID:	20353
PubChem CID:	583277
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-203.96
Dipole, Da:	5.91
IP(EA), eV:	-11.1(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonylhexanoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)C(=O)OCC

DOS

IR

Vibrations