Geometry & MOs

Info

ID:	386668
PubChem CID:	134982480
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	326.14447
ΔH_f, kcal/mol:	-189.02
Dipole, Da:	3.53
IP(EA), eV:	-9.27(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC(=O)C1(CC2=CC3CCC(=O)C3C=C2C1)C(=O)OC

DOS

IR

Vibrations