Geometry & MOs

Info

ID:	387806
PubChem CID:	134986999
Reduced:	OC5H5N5 (1)
Stoich.:	AB5C5D5 (1)
Weight, g/mol:	160.992474
ΔH_f, kcal/mol:	80.69
Dipole, Da:	3.04
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-deuterio-2-methylsulfanylpyrimidine

Drug info:

PubChemData

Smile

COC1=NC=C(N=C1)N=[N+]=[N-]

DOS

IR

Vibrations