Geometry & MOs

Info

ID:	399120
PubChem CID:	135037978
Reduced:	OC4H5 (4)
Stoich.:	AB4C5 (4)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-162.57
Dipole, Da:	3.61
IP(EA), eV:	-9.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyltricyclo[4.3.1.03,8]decane-1,4-diol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)C[C@H]([C@@H](O1)OC(=O)C2=CC=CC=C2)C(C)C

DOS

IR

Vibrations