Geometry & MOs

Info

ID:	210885
PubChem CID:	80867998
Reduced:	ON6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	291.074769
ΔH_f, kcal/mol:	35.93
Dipole, Da:	7.13
IP(EA), eV:	-9.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=CC(=N1)N2C=C(C=N2)C(=O)N

DOS

IR

Vibrations