Geometry & MOs

Info

ID:	381874
PubChem CID:	134972733
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	107.037114
ΔH_f, kcal/mol:	-123.74
Dipole, Da:	2.77
IP(EA), eV:	-8.47(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C)O)C(=O)[C@@H]1CCC2=C1C=CC(=C2)OC

DOS

IR

Vibrations