Geometry & MOs

Info

ID:	39226
PubChem CID:	8139948
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	406.135114
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	4.98
IP(EA), eV:	-8.58(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations