Geometry & MOs

Info

ID:	82783
PubChem CID:	49856516
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	581.263819
ΔH_f, kcal/mol:	-9.74
Dipole, Da:	5.84
IP(EA), eV:	-8.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)C4CCCC4

DOS

IR

Vibrations