Geometry & MOs

Info

ID:

15274

PubChem CID:

435581

Reduced:

PC4H4N4 (1)

Stoich.:

AB4C4D4 (1)

Weight, g/mol:

138.009533

ΔHf, kcal/mol:

96.89

Dipole, Da:

2.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760363

Charge, e:

 0

Chem-info

IUPAC name:

7aH-[1,3,2]diazaphospholo[4,5-d]pyrimidine

Drug info:

PubChemData

Smile

C1=NC=NC2=NP=NC21

DOS

IR

Vibrations