Geometry & MOs

Info

ID:	210811
PubChem CID:	80857383
Reduced:	ClN9C10H10 (1)
Stoich.:	AB9C10D10 (1)
Weight, g/mol:	295.131221
ΔH_f, kcal/mol:	151.11
Dipole, Da:	2.96
IP(EA), eV:	-9.41(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC(=NC(=N2)N3C=NC=N3)N)C)Cl

DOS

IR

Vibrations