Geometry & MOs

Info

ID:

133423

PubChem CID:

51525159

Reduced:

OSN5C21H28 (1)

Stoich.:

ABC5D21E28 (1)

Weight, g/mol:

373.169822

ΔHf, kcal/mol:

52.99

Dipole, Da:

3.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.840580

Charge, e:

 1

Chem-info

IUPAC name:

diethyl-[3-[(3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propyl]azanium

Drug info:

PubChemData

Smile

C1COCCN1CC[N+]2=C3NC4=CC=CC=C4N3CN(C2)CCC5=CC=CS5

DOS

IR

Vibrations