Geometry & MOs

Info

ID:	222229
PubChem CID:	85295384
Reduced:	N2O5C10H12 (1)
Stoich.:	A2B5C10D12 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-172.94
Dipole, Da:	5.58
IP(EA), eV:	-10.42(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropylidene)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-5,6-diol

Drug info:

PubChemData

Smile

CC(=O)OCCOCN1C(=O)C(=C)C=NC1=O

DOS

IR

Vibrations