Geometry & MOs

Info

ID:	399060
PubChem CID:	135037419
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	157.086469
ΔH_f, kcal/mol:	-159.49
Dipole, Da:	3.29
IP(EA), eV:	-9.75(0.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(1R,2R)-2-methylcyclohexyl] carbonate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CC1C2=CC=CC=C2)C(=O)O)C(=O)O

DOS

IR

Vibrations