Geometry & MOs

Info

ID:	244680
PubChem CID:	99376394
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	482.177647
ΔH_f, kcal/mol:	-6.19
Dipole, Da:	2.65
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-(thiophen-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations