Geometry & MOs

Info

ID:

38399

PubChem CID:

8034987

Reduced:

NO4C17H20 (1)

Stoich.:

AB4C17D20 (1)

Weight, g/mol:

344.173607

ΔHf, kcal/mol:

-112.94

Dipole, Da:

14.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.885717

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-9-(3-morpholin-4-ylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC3=C2C[NH+](CO3)C[C@H]4CCCO4

DOS

IR

Vibrations