Geometry & MOs

Info

ID:

402572

PubChem CID:

135056459

Reduced:

NSeO2C11H12 (1)

Stoich.:

ABC2D11E12 (1)

Weight, g/mol:

241.99583

ΔHf, kcal/mol:

-49.06

Dipole, Da:

4.49

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.827234

Charge, e:

 0

Chem-info

IUPAC name:

5-methoxy-2-methyl-1,3-benzoselenazol-4-amine

Drug info:

PubChemData

Smile

CC1=[N+](C2=CC=CC=C2[Se]1)CCC(=O)O

DOS

IR

Vibrations