Geometry & MOs

Info

ID:

388225

PubChem CID:

134988542

Reduced:

NOSeC11H14 (1)

Stoich.:

ABCD11E14 (1)

Weight, g/mol:

195.046633

ΔHf, kcal/mol:

-4.2

Dipole, Da:

2.18

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763980

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-5-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCOC(C)/N=C(/C1=CC=CC=C1)\[Se]

DOS

IR

Vibrations