Geometry & MOs

Info

ID:	38197
PubChem CID:	8027950
Reduced:	N2O5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	421.153025
ΔH_f, kcal/mol:	-163.49
Dipole, Da:	7.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752200
Charge, e:	1

Chem-info

IUPAC name:

2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(C=C(C=C3)OCC(=O)NCCC[NH+]4CCOCC4)OC2=O

DOS

IR

Vibrations