Geometry & MOs

Info

ID:	56676
PubChem CID:	21317890
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	-169.27
Dipole, Da:	2.66
IP(EA), eV:	-10.02(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,4-bis(hydroxymethyl)cyclohexyl] 4-hydroxybutanoate

Drug info:

PubChemData

Smile

CCOC1(OCCCO1)OCC=C

DOS

IR

Vibrations