Geometry & MOs

Info

ID:	200676
PubChem CID:	79426355
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-190.55
Dipole, Da:	4.39
IP(EA), eV:	-10.14(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1(CCO)C(=O)O

DOS

IR

Vibrations