Geometry & MOs

Info

ID:	11127
PubChem CID:	111313
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-118.1
Dipole, Da:	2.01
IP(EA), eV:	-10.61(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S)-2-methylcyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1C(=O)OC

DOS

IR

Vibrations