Geometry & MOs

Info

ID:	82673
PubChem CID:	49856325
Reduced:	N5O5C34H37 (1)
Stoich.:	A5B5C34D37 (1)
Weight, g/mol:	551.253255
ΔH_f, kcal/mol:	-93.64
Dipole, Da:	12.25
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-N-[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)dibenzofuran-1-yl]acetamide

Drug info:

PubChemData

Smile

COCCN1CCN(CC1)CC(=O)NC2=C3C4=CC=CC=C4OC3=C(C=C2)C5=CC=CC6=C5NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations