Geometry & MOs

Info

ID:	35640
PubChem CID:	7980128
Reduced:	N2O5H22C23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	5.69
IP(EA), eV:	-8.6(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)COC(=O)C1=C2CC/C(=C\C3=CC=CO3)/C2=NC4=CC=CC=C41

DOS

IR

Vibrations