Geometry & MOs

Info

ID:	385727
PubChem CID:	134979839
Reduced:	O3C9H10 (2)
Stoich.:	A3B9C10 (2)
Weight, g/mol:	196.182715
ΔH_f, kcal/mol:	-202.13
Dipole, Da:	2.57
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,4S)-4-tert-butylcyclohex-2-en-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C([C@@H](C1)C(=O)OC)C(=O)OCC2=CC=CC=C2)OC

DOS

IR

Vibrations