Geometry & MOs

Info

ID:	285177
PubChem CID:	104098482
Reduced:	ClN7C8H10 (1)
Stoich.:	AB7C8D10 (1)
Weight, g/mol:	264.108322
ΔH_f, kcal/mol:	89.45
Dipole, Da:	2.63
IP(EA), eV:	-9.52(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-methyl-5-nitro-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CN(N=N1)CCNC2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations