Geometry & MOs

Info

ID:	82672
PubChem CID:	49856323
Reduced:	O5N7C35H39 (1)
Stoich.:	A5B7C35D39 (1)
Weight, g/mol:	595.279469
ΔH_f, kcal/mol:	-113.82
Dipole, Da:	8.41
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCN(CC1)CC(=O)NC2=C3C4=CC=CC=C4OC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations