Geometry & MOs

Info

ID:	200673
PubChem CID:	79425534
Reduced:	OC8H14 (2)
Stoich.:	AB8C14 (2)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-145.73
Dipole, Da:	5.05
IP(EA), eV:	-10.32(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxypropyl)oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C2CCC(C(C2)C)C)C(=O)O

DOS

IR

Vibrations