Geometry & MOs

Info

ID:	209531
PubChem CID:	80683580
Reduced:	SO4N5C11H15 (1)
Stoich.:	AB4C5D11E15 (1)
Weight, g/mol:	305.090419
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	6.02
IP(EA), eV:	-9.25(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)O)S(=O)(=O)NCCC2=CN(N=C2)C

DOS

IR

Vibrations