Geometry & MOs

Info

ID:	22403
PubChem CID:	597157
Reduced:	O5C20H26 (1)
Stoich.:	A5B20C26 (1)
Weight, g/mol:	346.178024
ΔH_f, kcal/mol:	-196.66
Dipole, Da:	4.26
IP(EA), eV:	-8.61(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione

Drug info:

PubChemData

Smile

CC1(C(OC(=O)C2(C1=O)CCCCC2)C3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations