Geometry & MOs

Info

ID:	35643
PubChem CID:	7980131
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	409.167794
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	1.69
IP(EA), eV:	-8.64(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC)OC(=O)C1=C2CC/C(=C\C3=CC=CO3)/C2=NC4=CC=CC=C41

DOS

IR

Vibrations