Geometry & MOs

Info

ID:	387993
PubChem CID:	134987728
Reduced:	FNC4H4O4 (1)
Stoich.:	ABC4D4E4 (1)
Weight, g/mol:	222.16198
ΔH_f, kcal/mol:	-110.95
Dipole, Da:	3.78
IP(EA), eV:	-11.65(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]hex-4-enal

Drug info:

PubChemData

Smile

COC(=O)/C=C(/[N+](=O)[O-])\F

DOS

IR

Vibrations