Geometry & MOs

Info

ID:	382660
PubChem CID:	134973940
Reduced:	NOC20H27 (1)
Stoich.:	ABC20D27 (1)
Weight, g/mol:	381.121237
ΔH_f, kcal/mol:	6.38
Dipole, Da:	2.98
IP(EA), eV:	-8.56(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9H-fluoren-9-ylmethoxycarbonyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC/C=C(\C)/C=C/C=C(\C)/CCCC1=COC=C1)C#N

DOS

IR

Vibrations