Geometry & MOs

Info

ID:	199826
PubChem CID:	79303147
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	216.172545
ΔH_f, kcal/mol:	-182.9
Dipole, Da:	5.66
IP(EA), eV:	-10.27(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-hydroxy-2-propan-2-ylheptanoic acid

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(C(C)C)(C(=O)O)O

DOS

IR

Vibrations