Geometry & MOs

Info

ID:	38198
PubChem CID:	8027951
Reduced:	ClN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	395.137375
ΔH_f, kcal/mol:	-161.34
Dipole, Da:	5.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752490
Charge, e:	1

Chem-info

IUPAC name:

2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ium-4-ylethyl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OCC(=O)NCCC[NH+]4CCOCC4

DOS

IR

Vibrations