Geometry & MOs

Info

ID:	398063
PubChem CID:	135031595
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	298.120509
ΔH_f, kcal/mol:	-164.34
Dipole, Da:	2.71
IP(EA), eV:	-8.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,11R,12S)-6-methoxy-14-oxo-4-oxatetracyclo[7.7.1.01,12.05,17]heptadeca-5,7,9(17),15-tetraene-11-carbaldehyde

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=CC(=C1)C2OCC(CO2)(C)C)OC)OC)C

DOS

IR

Vibrations