Geometry & MOs

Info

ID:	298557
PubChem CID:	117651084
Reduced:	O2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	517.106173
ΔH_f, kcal/mol:	-157.0
Dipole, Da:	1.03
IP(EA), eV:	-9.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1(C(=O)OC2(CCCC2)OC1=O)C3=CC=CC=C3

DOS

IR

Vibrations