Geometry & MOs

Info

ID:	327684
PubChem CID:	126690741
Reduced:	O7H8C12 (1)
Stoich.:	A7B8C12 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-113.4
Dipole, Da:	5.52
IP(EA), eV:	-9.73(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1=C2C(=C3C(=C1OC3=O)O2)C(=O)OC

DOS

IR

Vibrations