Geometry & MOs

Info

ID:	82590
PubChem CID:	49856217
Reduced:	NNaO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	578.240831
ΔH_f, kcal/mol:	-182.14
Dipole, Da:	8.81
IP(EA), eV:	-8.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-ethylamino]acetyl]amino]ethyl]-2-[7-(dimethylamino)-2-oxochromen-4-yl]acetamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C(=O)NCC(=O)[O-].[Na+]

DOS

IR

Vibrations