Geometry & MOs

Info

ID:	208117
PubChem CID:	80496786
Reduced:	O2N5H9C11 (1)
Stoich.:	A2B5C9D11 (1)
Weight, g/mol:	232.143645
ΔH_f, kcal/mol:	77.61
Dipole, Da:	2.81
IP(EA), eV:	-10.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-diethyl-5-methyl-2-(2H-triazol-4-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=NC(=NO2)C3=NNN=C3)O

DOS

IR

Vibrations