Geometry & MOs

Info

ID:	397550
PubChem CID:	135030374
Reduced:	NO3H8C11 (2)
Stoich.:	AB3C8D11 (2)
Weight, g/mol:	156.078644
ΔH_f, kcal/mol:	11.88
Dipole, Da:	2.68
IP(EA), eV:	-10.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,7aR)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC2C3C(C1O2)C(=O)N(C3=O)CC#CC#CCN4C(=O)C5C6C=CC(C5C4=O)O6

DOS

IR

Vibrations