Geometry & MOs

Info

ID:	404198
PubChem CID:	135065383
Reduced:	FOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	320.142387
ΔH_f, kcal/mol:	-72.01
Dipole, Da:	2.06
IP(EA), eV:	-9.3(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 9-(fluoromethyl)-5,7-dihydrobenzo[7]annulene-6,6-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C)[C@@H](CO)F

DOS

IR

Vibrations