Geometry & MOs

Info

ID:	382024
PubChem CID:	134972927
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	230.115424
ΔH_f, kcal/mol:	-134.35
Dipole, Da:	4.11
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1S,3R)-3-hydroxycyclohexyl]propanedioate

Drug info:

PubChemData

Smile

CC1(O/C(=C/C2=CC=C(C=C2)OC)/C(=O)O1)C

DOS

IR

Vibrations