Geometry & MOs

Info

ID:	215891
PubChem CID:	85085398
Reduced:	NC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	52.47
Dipole, Da:	3.62
IP(EA), eV:	-9.5(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carbaldehyde

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(C)(C=C)C#N

DOS

IR

Vibrations