Geometry & MOs

Info

ID:	39149
PubChem CID:	8139798
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	420.150764
ΔH_f, kcal/mol:	40.33
Dipole, Da:	3.58
IP(EA), eV:	-8.55(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (4Z)-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations