Geometry & MOs

Info

ID:	348652
PubChem CID:	127273763
Reduced:	ClO2S2N4C16H17 (1)
Stoich.:	AB2C2D4E16F17 (1)
Weight, g/mol:	258.159295
ΔH_f, kcal/mol:	10.02
Dipole, Da:	5.4
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2-methylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CN3C=C(C=CC3=N2)Cl)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations