Geometry & MOs

Info

ID:	145555
PubChem CID:	53544698
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	331.081158
ΔH_f, kcal/mol:	-30.72
Dipole, Da:	0.94
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCCN1C(=O)C2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations