Geometry & MOs

Info

ID:	215998
PubChem CID:	85085558
Reduced:	O3N4C8H12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	210.089209
ΔH_f, kcal/mol:	-114.72
Dipole, Da:	2.34
IP(EA), eV:	-10.44(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-7a-methyl-3-oxo-1,5,6,7-tetrahydrocyclopenta[c]pyran-1-carbaldehyde

Drug info:

PubChemData

Smile

CCCN1C2C(C(=O)NC1=O)NC(=O)N2

DOS

IR

Vibrations