Geometry & MOs

Info

ID:	150036
PubChem CID:	53789721
Reduced:	C7H11 (2)
Stoich.:	A7B11 (2)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-18.74
Dipole, Da:	0.8
IP(EA), eV:	-9.17(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-4-oxo-2-phenylcyclohexyl] propanoate

Drug info:

PubChemData

Smile

CCC(C)(C)C(C)CC1=CC=CC=C1

DOS

IR

Vibrations