Geometry & MOs

Info

ID:	35645
PubChem CID:	7980135
Reduced:	NO3H21C26 (1)
Stoich.:	AB3C21D26 (1)
Weight, g/mol:	399.127072
ΔH_f, kcal/mol:	-19.28
Dipole, Da:	2.16
IP(EA), eV:	-8.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC(=O)C2=C3CC/C(=C\C4=CC=CO4)/C3=NC5=CC=CC=C52

DOS

IR

Vibrations