Geometry & MOs

Info

ID:	216343
PubChem CID:	85086076
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-195.71
Dipole, Da:	1.06
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC(C(C)(CCC=C(C)C)O)O

DOS

IR

Vibrations