Geometry & MOs

Info

ID:	285193
PubChem CID:	104098572
Reduced:	ClON6C9H11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	233.138894
ΔH_f, kcal/mol:	56.81
Dipole, Da:	3.51
IP(EA), eV:	-9.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C=N1)NCCN2C=CN=N2)Cl

DOS

IR

Vibrations