Geometry & MOs

Info

ID:

181896

PubChem CID:

76811712

Reduced:

FON6C23H25 (1)

Stoich.:

ABC6D23E25 (1)

Weight, g/mol:

557.275053

ΔHf, kcal/mol:

-10.52

Dipole, Da:

3.9

IP(EA), eV:

 -9.25(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[4-[[4-(3-ethoxyiminobutan-2-yl)-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

CC(CC1=NC(=CC(=N1)N2CCCC2C(=O)N)CC3=NC=CN=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations