Geometry & MOs

Info

ID:	404737
PubChem CID:	135070250
Reduced:	FOC29H33 (1)
Stoich.:	ABC29D33 (1)
Weight, g/mol:	194.057909
ΔH_f, kcal/mol:	-37.41
Dipole, Da:	2.56
IP(EA), eV:	-8.86(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-carbaldehyde

Drug info:

PubChemData

Smile

CC(=C(C)CC(=C)CC1=C(CC(=C)[C@H](C1)[C@@H](C2=CC=CC=C2)O)C3=CC=C(C=C3)F)C

DOS

IR

Vibrations