Geometry & MOs

Info

ID:	386178
PubChem CID:	134980991
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	331.02498
ΔH_f, kcal/mol:	-31.68
Dipole, Da:	1.56
IP(EA), eV:	-7.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@]12CCC=CC1=CCC[C@@H]2OCOC

DOS

IR

Vibrations