Geometry & MOs

Info

ID:

57524

PubChem CID:

22401904

Reduced:

NPC5O7H11 (1)

Stoich.:

ABC5D7E11 (1)

Weight, g/mol:

177.090212

ΔHf, kcal/mol:

-342.69

Dipole, Da:

7.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753476

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

C(C(=O)O)[NH+](CC(=O)O)CP(=O)(O)O

DOS

IR

Vibrations