Geometry & MOs

Info

ID:	23985
PubChem CID:	607326
Reduced:	ClH5C6N6 (1)
Stoich.:	AB5C6D6 (1)
Weight, g/mol:	196.026422
ΔH_f, kcal/mol:	76.17
Dipole, Da:	3.51
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloropteridine-2,4-diamine

Drug info:

PubChemData

Smile

C1=C(N=C2C(=NC(=NC2=N1)N)N)Cl

DOS

IR

Vibrations