Geometry & MOs

Info

ID:

15567

PubChem CID:

444453

Reduced:

N5C6H8 (1)

Stoich.:

A5B6C8 (1)

Weight, g/mol:

150.07797

ΔHf, kcal/mol:

76.41

Dipole, Da:

7.09

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.911822

Charge, e:

 1

Chem-info

IUPAC name:

1-methyl-7H-purin-1-ium-6-amine

Drug info:

PubChemData

Smile

C[N+]1=C(C2=C(N=CN2)N=C1)N

DOS

IR

Vibrations