Geometry & MOs

Info

ID:	38205
PubChem CID:	8027967
Reduced:	N2O5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	403.223297
ΔH_f, kcal/mol:	-163.8
Dipole, Da:	8.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.977699
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxy-N-(3-morpholin-4-ium-4-ylpropyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations