Geometry & MOs

Info

ID:	38332
PubChem CID:	8030623
Reduced:	ClN2O3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	2.86
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-isochromeno[3,4-f][1,3]benzoxazin-3-ium-6-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C3CN(COC3=C(C=C12)Cl)C4CC(NC(C4)(C)C)(C)C

DOS

IR

Vibrations